Name: Name:1-(3-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Brand: Angene
SKU: AG01AQPN
Rating: 90 (10 reviews)

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

CAS No.:

1105193-10-9

Catalog Number:

AG01AQPN

Molecular Formula:

C8H6BrN3O

Molecular Weight:

240.0567

Catalog Number:

AG01AQPN

Chemical Name:

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

CAS Number:

1105193-10-9

Molecular Formula:

C8H6BrN3O

Molecular Weight:

240.0567

MDL Number:

MFCD16653163

IUPAC Name:

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

InChI:

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

InChI Key:

UCGGXHGJXGAQOU-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)n1nc[nH]c1=O

Complexity:

244

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:

44.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6