Benzoic acid,2-hydrazinyl- 5326-27-2 98%
Identification and Related Records
【Name】
Benzoic acid,2-hydrazinyl-
【CAS Registry number】
5326-27-2
【Synonyms】
Benzoicacid, 2-hydrazino- (9CI)
Benzoic acid, o-hydrazino- (6CI,7CI,8CI)
(2-Carboxyphenyl)hydrazine
2-Hydrazinobenzoic acid
N-Aminoanthranilic acid
NSC 282
o-Carboxyphenylhydrazine
o-Hydrazinobenzoic acid
【EINECS(EC#)】
226-202-0
【Molecular Formula】
C7H8N2O2 (Products with the same molecular formula)
【Molecular Weight】
152.15
【Inchi】
InChI=1/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h1-4,9H,8H2,(H,10,11)
【Canonical SMILES】
C1=CC=C(C(=C1)C(=O)O)NN
【MOL File】
5326-27-2.mol
Chemical and Physical Properties
【Density】
1.401g/cm3
【Boiling Point】
352.3°Cat760mmHg
【Flash Point】
166.9°C
【Computed Properties】
Molecular Weight:152.15062 [g/mol]
Molecular Formula:C7H8N2O2
XLogP3:-1
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:8
Exact Mass:152.058578
MonoIsotopic Mass:152.058578
Topological Polar Surface Area:75.4
Heavy Atom Count:11
Formal Charge:0
Complexity:149
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:9
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