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Home > Nitro Compounds > 552-16-9
552-16-9 | 2-Nitrobenzoic acid
CAS No: 552-16-9 Catalog No: AG003HSG MDL No:MFCD00007137
Product Description
Catalog Number:
AG003HSG
Chemical Name:
2-Nitrobenzoic acid
CAS Number:
552-16-9
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00007137
IUPAC Name:
2-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChI Key:
SLAMLWHELXOEJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(=O)O
EC Number:
209-004-9
UNII:
S6S4653K7Z
NSC Number:
9576
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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