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Structure

Benzoic acid,3-(1H-1,2,4-triazol-1-ylmethyl)-,methyl ester

CAS
857284-24-3
Catalog Number
ACM857284243
Category
Other Products
Molecular Weight
217.22
Molecular Formula
C11H11N3O2

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Specification

Synonyms
METHYL 3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOATE;Methyl 3-(1H-1,2,4-triazol-1-ylmethyl)benzoate 90%
IUPAC Name
methyl 3-(1,2,4-triazol-1-ylmethyl)benzoate
Canonical SMILES
COC(=O)C1=CC(=CC=C1)CN2C=NC=N2
InChI Key
VVXFDHSFRDDURK-UHFFFAOYSA-N
Boiling Point
405.1ºC at 760 mmHg
Flash Point
198.8ºC
Density
1.23g/cm³
Exact Mass
217.08500
H-Bond Acceptor
4
H-Bond Donor
0
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