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169198-72-5 | 1,3-Benzenediol, 4-(5-chloro-2H-benzotriazol-2-yl)-, 1-benzoate
CAS No: 169198-72-5 Catalog No: AG001YJJ MDL No:
Product Description
Catalog Number:
AG001YJJ
Chemical Name:
1,3-Benzenediol, 4-(5-chloro-2H-benzotriazol-2-yl)-, 1-benzoate
CAS Number:
169198-72-5
Molecular Formula:
C19H12ClN3O3
Molecular Weight:
365.7699
IUPAC Name:
[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl] benzoate
InChI:
InChI=1S/C19H12ClN3O3/c20-13-6-8-15-16(10-13)22-23(21-15)17-9-7-14(11-18(17)24)26-19(25)12-4-2-1-3-5-12/h1-11,24H
InChI Key:
HWSDZRBDEVTBSM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nn(n2)c1ccc(cc1O)OC(=O)c1ccccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.057g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.773g/mol
Monoisotopic Mass:
365.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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