Home Aldehydes Benzaldehyde, 2-amino-3-nitro-

Benzaldehyde, 2-amino-3-nitro-

CAS No.:
97271-97-1
Catalog Number:
AG00IJXA
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
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Product Description
Catalog Number:
AG00IJXA
Chemical Name:
Benzaldehyde, 2-amino-3-nitro-
CAS Number:
97271-97-1
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
MDL Number:
MFCD09880173
IUPAC Name:
2-amino-3-nitrobenzaldehyde
InChI:
InChI=1S/C7H6N2O3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H,8H2
InChI Key:
LDKGAMZVANIDGZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1N)[N+](=O)[O-]
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties