915095-87-3 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 915095-87-3, (s)-(2-chloro-5-iodophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone, (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]methanone, Methanone, (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]-, (2-chloro-5-iodophenyl)-[4-[(3s)-oxolan-3-yl]oxyphenyl]methanone, Ec 619-598-5
Molecular Formula
C17H14ClIO3
Molecular Weight
428.6  g/mol
InChI Key
WBBJCIOCSVFCNI-AWEZNQCLSA-N
FDA UNII
H38Q3VE2C8

915095-87-3
1 2D Structure

915095-87-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-chloro-5-iodophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
2.1.2 InChI
InChI=1S/C17H14ClIO3/c18-16-6-3-12(19)9-15(16)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1
2.1.3 InChI Key
WBBJCIOCSVFCNI-AWEZNQCLSA-N
2.1.4 Canonical SMILES
C1COCC1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)I)Cl
2.1.5 Isomeric SMILES
C1COC[C@H]1OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)I)Cl
2.2 Other Identifiers
2.2.1 UNII
H38Q3VE2C8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 915095-87-3

2. (s)-(2-chloro-5-iodophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone

3. (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]methanone

4. Methanone, (2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]-

5. (2-chloro-5-iodophenyl)-[4-[(3s)-oxolan-3-yl]oxyphenyl]methanone

6. Ec 619-598-5

7. (2-chloro-5-iodophenyl)4-(3s)-tetrahydro-3-furanyloxyphenylmethanone

8. (2-chloro-5-iodophenyl)(4-(((3s)-tetrahydro-3-furanyl)oxy)phenyl)methanone

9. (3s)-3-[4-(2-chloro-5-iodobenzoyl)phenoxy]oxolane

10. H38q3ve2c8

11. Schembl2868630

12. Dtxsid50893823

13. Bcp12332

14. Cs-m2268

15. Mfcd22665921

16. Akos027338564

17. Ds-12204

18. A923011

19. (2-chloro-5-iodophenyl)(4-((3s)-tetrahydro-3-furanyloxy)phenyl)methanone

20. (2-chloro-5-iodo-phenyl)-{4-[(s)-(tetrahydrofuran-3-yl)oxy]-phenyl}-methanone

21. Methanone,(2-chloro-5-iodophenyl)[4-[[(3s)-tetrahydro-3-furanyl]oxy]phenyl]-

2.4 Create Date
2012-08-20
3 Chemical and Physical Properties
Molecular Weight 428.6 g/mol
Molecular Formula C17H14ClIO3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count22
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty