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50712-63-5

50712-63-5 | 2-(4-Nitrophenyl)propanenitrile

CAS No: 50712-63-5 Catalog No: AG003EXF MDL No:MFCD03427171

Product Description

Catalog Number:
AG003EXF
Chemical Name:
2-(4-Nitrophenyl)propanenitrile
CAS Number:
50712-63-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD03427171
IUPAC Name:
2-(4-nitrophenyl)propanenitrile
InChI:
InChI=1S/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3
InChI Key:
QCPKTMACPAKCKW-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)[N+](=O)[O-])C#N
EC Number:
256-731-2

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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