Name: Name:Benzoic acid, 4-(1H-1,2,4-triazol-1-ylmethyl)-
Brand: Angene
SKU: AG001RVV
Rating: 90 (10 reviews)

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

CAS No.:

160388-54-5

Catalog Number:

AG001RVV

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

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Product Description

Catalog Number:

AG001RVV

Chemical Name:

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

CAS Number:

160388-54-5

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD07187900

IUPAC Name:

4-(1,2,4-triazol-1-ylmethyl)benzoic acid

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

SMILES:

OC(=O)c1ccc(cc1)Cn1ncnc1

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.201g/mol

Monoisotopic Mass:

203.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
A novel two-dimensional framework based on unprecedented cadmium(II) chains.	Acta crystallographica. Section C, Crystal structure communications 20090201

Properties