Home Nitriles (4-Methoxy-3-nitro-phenyl)-acetonitrile

(4-Methoxy-3-nitro-phenyl)-acetonitrile

CAS No.:
56245-07-9
Catalog Number:
AG00DK40
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG00DK40
Chemical Name:
(4-Methoxy-3-nitro-phenyl)-acetonitrile
CAS Number:
56245-07-9
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD11118823
IUPAC Name:
2-(4-methoxy-3-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H8N2O3/c1-14-9-3-2-7(4-5-10)6-8(9)11(12)13/h2-3,6H,4H2,1H3
InChI Key:
JKDVPWJWKGREOL-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties