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88580-52-3 | Benzoic acid, 4-[(4-azido-2-methylphenyl)azo]-
CAS No: 88580-52-3 Catalog No: AG004BR8 MDL No:
Product Description
Catalog Number:
AG004BR8
Chemical Name:
Benzoic acid, 4-[(4-azido-2-methylphenyl)azo]-
CAS Number:
88580-52-3
Molecular Formula:
C14H11N5O2
Molecular Weight:
281.2694
IUPAC Name:
4-[(4-azido-2-methylphenyl)diazenyl]benzoic acid
InChI:
InChI=1S/C14H11N5O2/c1-9-8-12(17-19-15)6-7-13(9)18-16-11-4-2-10(3-5-11)14(20)21/h2-8H,1H3,(H,20,21)
InChI Key:
FEOVBWYNAFFHRW-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)C)N=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.275g/mol
Monoisotopic Mass:
281.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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