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139303-86-9 | Ethanone, 2-bromo-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 139303-86-9 Catalog No: AG001AP8 MDL No:
Product Description
Catalog Number:
AG001AP8
Chemical Name:
Ethanone, 2-bromo-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
139303-86-9
Molecular Formula:
C10H8BrN3O
Molecular Weight:
266.0940
IUPAC Name:
2-bromo-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
InChI:
InChI=1S/C10H8BrN3O/c11-10(14-7-12-6-13-14)9(15)8-4-2-1-3-5-8/h1-7,10H
InChI Key:
BVVKXVVPVKHMJL-UHFFFAOYSA-N
SMILES:
O=C(C(n1cncn1)Br)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.098g/mol
Monoisotopic Mass:
264.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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