Name: Name:5-(4-bromophenyl)-2H-1,2,4-triazol-3(4H)-one
Brand: Angene
SKU: AG00CN1N
Rating: 90 (10 reviews)

5-(4-bromophenyl)-2H-1,2,4-triazol-3(4H)-one

CAS No.:

33199-41-6

Catalog Number:

AG00CN1N

Molecular Formula:

C8H6BrN3O

Molecular Weight:

240.0567

Catalog Number:

AG00CN1N

Chemical Name:

5-(4-bromophenyl)-2H-1,2,4-triazol-3(4H)-one

CAS Number:

33199-41-6

Molecular Formula:

C8H6BrN3O

Molecular Weight:

240.0567

MDL Number:

MFCD00461382

IUPAC Name:

3-(4-bromophenyl)-1,4-dihydro-1,2,4-triazol-5-one

InChI:

InChI=1S/C8H6BrN3O/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)

InChI Key:

CFRHDMJAUMODNV-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)c1n[nH]c(=O)[nH]1

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.06g/mol

Monoisotopic Mass:

238.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5