Name: Name:1-Benzyl-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG0018WY
Rating: 90 (10 reviews)

1-Benzyl-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:

138624-97-2

Catalog Number:

AG0018WY

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

Catalog Number:

AG0018WY

Chemical Name:

1-Benzyl-1H-1,2,4-triazole-3-carboxylic acid

CAS Number:

138624-97-2

Molecular Formula:

C10H9N3O2

Molecular Weight:

203.1974

MDL Number:

MFCD13191550

IUPAC Name:

1-benzyl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C10H9N3O2/c14-10(15)9-11-7-13(12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)

InChI Key:

NECVCOZCCWXGLH-UHFFFAOYSA-N

SMILES:

OC(=O)c1ncn(n1)Cc1ccccc1

Complexity:

229

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:

1.5