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1740-88-1 | 1H-Benzimidazole, 6-bromo-2-(chloromethyl)-
CAS No: 1740-88-1 Catalog No: AG001ZE0 MDL No:MFCD00457491
Product Description
Catalog Number:
AG001ZE0
Chemical Name:
1H-Benzimidazole, 6-bromo-2-(chloromethyl)-
CAS Number:
1740-88-1
Molecular Formula:
C8H6BrClN2
Molecular Weight:
245.5036
MDL Number:
MFCD00457491
IUPAC Name:
6-bromo-2-(chloromethyl)-1H-benzimidazole
InChI:
InChI=1S/C8H6BrClN2/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4H2,(H,11,12)
InChI Key:
OWLMBJLZMJBNQJ-UHFFFAOYSA-N
SMILES:
ClCc1nc2c([nH]1)cc(cc2)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.504g/mol
Monoisotopic Mass:
243.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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