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14984-14-6 | 1H-Benzimidazole, 6-(2-chloroethyl)-
CAS No: 14984-14-6 Catalog No: AG001M28 MDL No:
Product Description
Catalog Number:
AG001M28
Chemical Name:
1H-Benzimidazole, 6-(2-chloroethyl)-
CAS Number:
14984-14-6
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
IUPAC Name:
6-(2-chloroethyl)-1H-benzimidazole
InChI:
InChI=1S/C9H9ClN2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5-6H,3-4H2,(H,11,12)
InChI Key:
ATTDEPYMMZSIKD-UHFFFAOYSA-N
SMILES:
ClCCc1ccc2c(c1)[nH]cn2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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