Name: Name:4-phenyl-4H-1,2,4-triazole-3-carbaldehyde
Brand: Angene
SKU: AG01BTED
Rating: 90 (10 reviews)

4-phenyl-4H-1,2,4-triazole-3-carbaldehyde

CAS No.:

138624-58-5

Catalog Number:

AG01BTED

Molecular Formula:

C9H7N3O

Molecular Weight:

173.1714

Catalog Number:

AG01BTED

Chemical Name:

4-phenyl-4H-1,2,4-triazole-3-carbaldehyde

CAS Number:

138624-58-5

Molecular Formula:

C9H7N3O

Molecular Weight:

173.1714

MDL Number:

MFCD24682384

IUPAC Name:

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

InChI:

InChI=1S/C9H7N3O/c13-6-9-11-10-7-12(9)8-4-2-1-3-5-8/h1-7H

InChI Key:

QKXBTXPBQRIDNF-UHFFFAOYSA-N

SMILES:

O=Cc1nncn1c1ccccc1

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.175g/mol

Monoisotopic Mass:

173.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9