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332176-87-1 | 4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester
CAS No: 332176-87-1 Catalog No: AG01F94K MDL No:
Product Description
Catalog Number:
AG01F94K
Chemical Name:
4-Chloro-benzoic acid 3-tetrazol-1-yl-phenyl ester
CAS Number:
332176-87-1
Molecular Formula:
C14H9ClN4O2
Molecular Weight:
300.6999
IUPAC Name:
[3-(tetrazol-1-yl)phenyl] 4-chlorobenzoate
InChI:
InChI=1S/C14H9ClN4O2/c15-11-6-4-10(5-7-11)14(20)21-13-3-1-2-12(8-13)19-9-16-17-18-19/h1-9H
InChI Key:
RHNYWTFOFOGORD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)Oc1cccc(c1)n1cnnn1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.702g/mol
Monoisotopic Mass:
300.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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