200,000+ products from a single source!
sales@angenechem.com
139257-55-9 | Benzoic acid, 4-[3-(4-chlorophenyl)-3-hydroxy-1-triazen-1-yl]-
CAS No: 139257-55-9 Catalog No: AG001AKQ MDL No:
Product Description
Catalog Number:
AG001AKQ
Chemical Name:
Benzoic acid, 4-[3-(4-chlorophenyl)-3-hydroxy-1-triazen-1-yl]-
CAS Number:
139257-55-9
Molecular Formula:
C13H10ClN3O3
Molecular Weight:
291.6898
IUPAC Name:
[(4-carboxyphenyl)hydrazinylidene]-(4-chlorophenyl)-oxidoazanium
InChI:
InChI=1S/C13H10ClN3O3/c14-10-3-7-12(8-4-10)17(20)16-15-11-5-1-9(2-6-11)13(18)19/h1-8,15H,(H,18,19)
InChI Key:
LXVBDAKHNWPVFN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N(N=Nc1ccc(cc1)C(=O)O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.691g/mol
Monoisotopic Mass:
291.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.