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7400-25-1 | 4-(2-phenylhydrazinyl)benzoic acid
CAS No: 7400-25-1 Catalog No: AG005IK1 MDL No:
Product Description
Catalog Number:
AG005IK1
Chemical Name:
4-(2-phenylhydrazinyl)benzoic acid
CAS Number:
7400-25-1
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
4-(2-phenylhydrazinyl)benzoic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9,14-15H,(H,16,17)
InChI Key:
BNCKOLYTMSRHTH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NNc1ccccc1
NSC Number:
59491
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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