Home Other Building Blocks 2-(2-Chloroethyl)benzimidazole

2-(2-Chloroethyl)benzimidazole

CAS No.:
405173-97-9
Catalog Number:
AG00BXM8
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
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Product Description
Catalog Number:
AG00BXM8
Chemical Name:
2-(2-Chloroethyl)benzimidazole
CAS Number:
405173-97-9
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD01029245
IUPAC Name:
2-(2-chloroethyl)-1H-benzimidazole
InChI:
InChI=1S/C9H9ClN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
InChI Key:
TUGGOLWUZCCVBF-UHFFFAOYSA-N
SMILES:
ClCCc1nc2c([nH]1)cccc2
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  
Properties