Name: Name:5-chloro-3-(3-nitrophenyl)-1H-1,2,4-triazole
Brand: Angene
SKU: AG01BIYA
Rating: 90 (10 reviews)

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

CAS No.:

59301-26-7

Catalog Number:

AG01BIYA

Molecular Formula:

C8H5ClN4O2

Molecular Weight:

224.6039

Catalog Number:

AG01BIYA

Chemical Name:

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

CAS Number:

59301-26-7

Molecular Formula:

C8H5ClN4O2

Molecular Weight:

224.6039

MDL Number:

MFCD19685610

IUPAC Name:

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

InChI:

InChI=1S/C8H5ClN4O2/c9-8-10-7(11-12-8)5-2-1-3-6(4-5)13(14)15/h1-4H,(H,10,11,12)

InChI Key:

AFMRRRJQANGAQH-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1)c1n[nH]c(n1)Cl

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.604g/mol

Monoisotopic Mass:

224.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4