Name: Name:3-(3-nitrophenyl)-1H-1,2,4-triazole
Brand: Angene
SKU: AG019MAJ
Rating: 90 (10 reviews)

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

CAS No.:

6219-53-0

Catalog Number:

AG019MAJ

Molecular Formula:

C8H6N4O2

Molecular Weight:

190.1588

Catalog Number:

AG019MAJ

Chemical Name:

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

CAS Number:

6219-53-0

Molecular Formula:

C8H6N4O2

Molecular Weight:

190.1588

MDL Number:

MFCD10686716

IUPAC Name:

5-(3-nitrophenyl)-1H-1,2,4-triazole

InChI:

InChI=1S/C8H6N4O2/c13-12(14)7-3-1-2-6(4-7)8-9-5-10-11-8/h1-5H,(H,9,10,11)

InChI Key:

STXJRVLVLGGYPJ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1)c1n[nH]cn1

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.162g/mol

Monoisotopic Mass:

190.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5