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88696-11-1 | Methanone, 1H-benzimidazol-2-yl(3-bromophenyl)-
CAS No: 88696-11-1 Catalog No: AG0047N0 MDL No:
Product Description
Catalog Number:
AG0047N0
Chemical Name:
Methanone, 1H-benzimidazol-2-yl(3-bromophenyl)-
CAS Number:
88696-11-1
Molecular Formula:
C14H9BrN2O
Molecular Weight:
301.1381
IUPAC Name:
1H-benzimidazol-2-yl-(3-bromophenyl)methanone
InChI:
InChI=1S/C14H9BrN2O/c15-10-5-3-4-9(8-10)13(18)14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H,16,17)
InChI Key:
XGPBGWIJYPGWJE-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.99g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.143g/mol
Monoisotopic Mass:
299.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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