Home Nitros 2-cyano-3-nitrobenzoic acid

2-cyano-3-nitrobenzoic acid

CAS No.:
1260834-31-8
Catalog Number:
AG009YSY
Molecular Formula:
C8H4N2O4
Molecular Weight:
192.1284
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Product Description
Catalog Number:
AG009YSY
Chemical Name:
2-cyano-3-nitrobenzoic acid
CAS Number:
1260834-31-8
Molecular Formula:
C8H4N2O4
Molecular Weight:
192.1284
MDL Number:
MFCD09745182
IUPAC Name:
2-cyano-3-nitrobenzoic acid
InChI:
InChI=1S/C8H4N2O4/c9-4-6-5(8(11)12)2-1-3-7(6)10(13)14/h1-3H,(H,11,12)
InChI Key:
DFPVVWZPOOLICC-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.13g/mol
Monoisotopic Mass:
192.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties