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

CAS
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CAS
160388-54-5
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Catalog Number

ACM160388545

Product Name

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

Structure

CAS

160388-54-5

Category

Heterocyclic Organic Compound

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

CompoundIs Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

203.069476538g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

203.069476538g/mol

Rotatable Bond Count

Topological Polar Surface Area

68Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

0.4

MSDS

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COA

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Spec Sheet

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

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