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10227-63-1 | Ethanone, 1-(1H-benzimidazol-2-yl)-2-bromo-
CAS No: 10227-63-1 Catalog No: AG000736 MDL No:MFCD28672492
Product Description
Catalog Number:
AG000736
Chemical Name:
Ethanone, 1-(1H-benzimidazol-2-yl)-2-bromo-
CAS Number:
10227-63-1
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD28672492
IUPAC Name:
1-(1H-benzimidazol-2-yl)-2-bromoethanone
InChI:
InChI=1S/C9H7BrN2O/c10-5-8(13)9-11-6-3-1-2-4-7(6)12-9/h1-4H,5H2,(H,11,12)
InChI Key:
KFIXOTDIZPHSCV-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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