CAS 50712-63-5 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: 50712-63-5, 2-(4-nitrophenyl)propiononitrile, 2-(4-nitrophenyl)propionitrile, Einecs 256-731-2, 2-(4-nitrophenyl)propionitrile97, Schembl3293719
Molecular Formula
C9H8N2O2
Molecular Weight
176.17  g/mol
InChI Key
QCPKTMACPAKCKW-UHFFFAOYSA-N

CAS 50712-63-5
1 2D Structure

CAS 50712-63-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-nitrophenyl)propanenitrile
2.1.2 InChI
InChI=1S/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3
2.1.3 InChI Key
QCPKTMACPAKCKW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 50712-63-5

2. 2-(4-nitrophenyl)propiononitrile

3. 2-(4-nitrophenyl)propionitrile

4. Einecs 256-731-2

5. 2-(4-nitrophenyl)propionitrile97

6. Schembl3293719

7. 2-(4-nitrophenyl)-propionitrile

8. Dtxsid90964960

9. 2-(4-nitrophenyl) Propane-nitrile

10. Mfcd03427171

11. Akos005073527

12. Akos015912510

13. 2-(4-nitrophenyl)propionitrile, 97%

14. Mb-0700

15. Cs-0323027

16. Ft-0681206

17. D84600

18. W-111002

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 176.17 g/mol
Molecular Formula C9H8N2O2
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass176.058577502 g/mol
Monoisotopic Mass176.058577502 g/mol
Topological Polar Surface Area69.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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