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915924-16-2 | 2-(2-CHLOROETHYL)-6,7-DIMETHYL-1H-BENZIMIDAZOLE
CAS No: 915924-16-2 Catalog No: AG006FWH MDL No:MFCD08691515
Product Description
Catalog Number:
AG006FWH
Chemical Name:
2-(2-CHLOROETHYL)-6,7-DIMETHYL-1H-BENZIMIDAZOLE
CAS Number:
915924-16-2
Molecular Formula:
C11H13ClN2
Molecular Weight:
208.6873
MDL Number:
MFCD08691515
IUPAC Name:
2-(2-chloroethyl)-4,5-dimethyl-1H-benzimidazole
InChI:
InChI=1S/C11H13ClN2/c1-7-3-4-9-11(8(7)2)14-10(13-9)5-6-12/h3-4H,5-6H2,1-2H3,(H,13,14)
InChI Key:
ASXYWWHYKCRPAK-UHFFFAOYSA-N
SMILES:
ClCCc1nc2c([nH]1)c(C)c(cc2)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.689g/mol
Monoisotopic Mass:
208.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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