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86143-82-0 | 1,2,4-Triazin-3(2H)-one, 6-(4-bromophenyl)-4,5-dihydro-
CAS No: 86143-82-0 Catalog No: AG004KV2 MDL No:
Product Description
Catalog Number:
AG004KV2
Chemical Name:
1,2,4-Triazin-3(2H)-one, 6-(4-bromophenyl)-4,5-dihydro-
CAS Number:
86143-82-0
Molecular Formula:
C9H8BrN3O
Molecular Weight:
254.0833
IUPAC Name:
6-(4-bromophenyl)-4,5-dihydro-2H-1,2,4-triazin-3-one
InChI:
InChI=1S/C9H8BrN3O/c10-7-3-1-6(2-4-7)8-5-11-9(14)13-12-8/h1-4H,5H2,(H2,11,13,14)
InChI Key:
MQYXURDJPXRBAF-UHFFFAOYSA-N
SMILES:
O=C1NCC(=NN1)c1ccc(cc1)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.087g/mol
Monoisotopic Mass:
252.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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