Name: Name:4H-1,2,4-Triazole-3-carboxaldehyde, 4-(phenylmethyl)-
Brand: Angene
SKU: AG00AT4L
Rating: 90 (10 reviews)

4H-1,2,4-Triazole-3-carboxaldehyde, 4-(phenylmethyl)-

CAS No.:

177028-45-4

Catalog Number:

AG00AT4L

Molecular Formula:

C10H9N3O

Molecular Weight:

187.1980

Catalog Number:

AG00AT4L

Chemical Name:

4H-1,2,4-Triazole-3-carboxaldehyde, 4-(phenylmethyl)-

CAS Number:

177028-45-4

Molecular Formula:

C10H9N3O

Molecular Weight:

187.1980

MDL Number:

MFCD20527536

IUPAC Name:

4-benzyl-1,2,4-triazole-3-carbaldehyde

InChI:

InChI=1S/C10H9N3O/c14-7-10-12-11-8-13(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2

InChI Key:

HPXAYPCPSBFHHE-UHFFFAOYSA-N

SMILES:

O=Cc1nncn1Cc1ccccc1

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.202g/mol

Monoisotopic Mass:

187.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8