Home Halogens 5-chloro-2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole

5-chloro-2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole

CAS No.:
1035841-23-6
Catalog Number:
AG019Z1P
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
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Product Description
Catalog Number:
AG019Z1P
Chemical Name:
5-chloro-2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole
CAS Number:
1035841-23-6
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD09701686
IUPAC Name:
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole
InChI:
InChI=1S/C11H12ClN3/c12-7-3-4-8-10(6-7)15-11(14-8)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2,(H,14,15)
InChI Key:
WTWLSXNDPSJKCT-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)C1CCCN1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.688g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties