Name: Name:3-(3-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Brand: Angene
SKU: AG01BJ9W
Rating: 90 (10 reviews)

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

CAS No.:

57508-64-2

Catalog Number:

AG01BJ9W

Molecular Formula:

C8H6BrN3O

Molecular Weight:

240.0567

Catalog Number:

AG01BJ9W

Chemical Name:

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

CAS Number:

57508-64-2

Molecular Formula:

C8H6BrN3O

Molecular Weight:

240.0567

MDL Number:

MFCD00461343

IUPAC Name:

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

InChI:

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

InChI Key:

MOWCNQAKRIHBCM-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)c1n[nH]c(=O)[nH]1

NSC Number:

678393

Complexity:

254

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