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4-(1H-1,2,4-Triazol-1-ylmethyl)Benzoic Acid

Catalog Number
ACM160388545
CAS Number
160388-54-5
Product Name
4-(1H-1,2,4-Triazol-1-ylmethyl)Benzoic Acid
Structure
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
4-[1,2,4]TRIAZOL-1-YLMETHYL-BENZOIC ACID;4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID;4-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid hydrochloride;benzoic acid, 4-(1H-1,2,4-triazol-1-ylmethyl)-
IUPAC Name
4-(1,2,4-triazol-1-ylmethyl)benzoic acid
Molecular Weight
203.20g/mol
Molecular Formula
C10H9N3O2
InChI
InChI=1S/C10H9N3O2/c14-10(15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
InChI Key
DJXUEFGFCMIONN-UHFFFAOYSA-N
Complexity
227
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
203.069476538g/mol
Formal Charge
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
203.069476538g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
68Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.4
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