CAS 76811-97-7 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: 76811-97-7, Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate, Ethyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate, Schembl4581793, Dtxsid101202709, Ethyl 4-(4-chloro-1-oxobutyl)-
Molecular Formula
C16H21ClO3
Molecular Weight
296.79  g/mol
InChI Key
NQQITLVKOMJPDY-UHFFFAOYSA-N

CAS 76811-97-7
1 2D Structure

CAS 76811-97-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate
2.1.2 InChI
InChI=1S/C16H21ClO3/c1-4-20-15(19)16(2,3)13-9-7-12(8-10-13)14(18)6-5-11-17/h7-10H,4-6,11H2,1-3H3
2.1.3 InChI Key
NQQITLVKOMJPDY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)CCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 76811-97-7

2. Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate

3. Ethyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate

4. Schembl4581793

5. Dtxsid101202709

6. Ethyl 4-(4-chloro-1-oxobutyl)-

7. A,

8. A-dimethylbenzeneacetate

9. Zinc98090375

10. Db-056137

11. Ft-0641614

12. 811e977

13. Ethyl 4-(4-chloro-1-oxobutyl)-,-dimethylbenzeneacetate

14. Ethyl 4-(4-chloro-1-oxobutyl)-alpha,alphadimethylbenzeneacetate

15. Ethyl 4-(4-chloro-1-oxobutyl)-alpha, Alpha-dimethylphenylacetate

16. Ethyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylphenylacetate

17. 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic Acid, Ethyl Ester

18. 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-proprionic Acid, Ethyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 296.79 g/mol
Molecular Formula C16H21ClO3
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass296.1179222 g/mol
Monoisotopic Mass296.1179222 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
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