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Home > Nitro Compounds > 100485-81-2
100485-81-2 | Benzoic acid, 4-(2-phenyldiazenyl)-, 4-nitrophenyl ester
CAS No: 100485-81-2 Catalog No: AG00023L MDL No:
Product Description
Catalog Number:
AG00023L
Chemical Name:
Benzoic acid, 4-(2-phenyldiazenyl)-, 4-nitrophenyl ester
CAS Number:
100485-81-2
Molecular Formula:
C19H13N3O4
Molecular Weight:
347.3242
IUPAC Name:
(4-nitrophenyl) 4-phenyldiazenylbenzoate
InChI:
InChI=1S/C19H13N3O4/c23-19(26-18-12-10-17(11-13-18)22(24)25)14-6-8-16(9-7-14)21-20-15-4-2-1-3-5-15/h1-13H
InChI Key:
XVHQBTRYVKRZOS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)N=Nc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.33g/mol
Monoisotopic Mass:
347.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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