Name: Name:3-(4-fluorobenzoyl)-4H-1,2,4-triazole
Brand: Angene
SKU: AG01AC1A
Rating: 90 (10 reviews)

3-(4-fluorobenzoyl)-4H-1,2,4-triazole

CAS No.:

95727-87-0

Catalog Number:

AG01AC1A

Molecular Formula:

C9H6FN3O

Molecular Weight:

191.1618

Catalog Number:

AG01AC1A

Chemical Name:

3-(4-fluorobenzoyl)-4H-1,2,4-triazole

CAS Number:

95727-87-0

Molecular Formula:

C9H6FN3O

Molecular Weight:

191.1618

MDL Number:

MFCD21194690

IUPAC Name:

(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanone

InChI:

InChI=1S/C9H6FN3O/c10-7-3-1-6(2-4-7)8(14)9-11-5-12-13-9/h1-5H,(H,11,12,13)

InChI Key:

XPKHJVCFEVGUPP-UHFFFAOYSA-N

SMILES:

O=C(c1[nH]cnn1)c1ccc(cc1)F

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.165g/mol

Monoisotopic Mass:

191.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8