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116465-92-0 | Benzoic acid, 3-amino-2-nitro-
CAS No: 116465-92-0 Catalog No: AG000CKV MDL No:MFCD00033889
Product Description
Catalog Number:
AG000CKV
Chemical Name:
Benzoic acid, 3-amino-2-nitro-
CAS Number:
116465-92-0
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD00033889
IUPAC Name:
3-amino-2-nitrobenzoic acid
InChI:
InChI=1S/C7H6N2O4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key:
FGMRHNYMZYMARX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)cccc1C(=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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