Name: Name:4-(5-amino-4H-1,2,4-triazol-3-yl)-2-chlorophenol
Brand: Angene
SKU: AG01ACYL
Rating: 90 (10 reviews)

4-(5-amino-4H-1,2,4-triazol-3-yl)-2-chlorophenol

CAS No.:

1016534-61-4

Catalog Number:

AG01ACYL

Molecular Formula:

C8H7ClN4O

Molecular Weight:

210.6204

Catalog Number:

AG01ACYL

Chemical Name:

4-(5-amino-4H-1,2,4-triazol-3-yl)-2-chlorophenol

CAS Number:

1016534-61-4

Molecular Formula:

C8H7ClN4O

Molecular Weight:

210.6204

MDL Number:

MFCD09806275

IUPAC Name:

4-(3-amino-1H-1,2,4-triazol-5-yl)-2-chlorophenol

InChI:

InChI=1S/C8H7ClN4O/c9-5-3-4(1-2-6(5)14)7-11-8(10)13-12-7/h1-3,14H,(H3,10,11,12,13)

InChI Key:

XIUYAPRUTCCMDQ-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1Cl)c1nnc([nH]1)N

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.621g/mol

Monoisotopic Mass:

210.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6