Home Halogens 2-(3-chloropropyl)-1H-1,3-benzodiazole hydrochloride

2-(3-chloropropyl)-1H-1,3-benzodiazole hydrochloride

CAS No.:
54104-37-9
Catalog Number:
AG01BEKN
Molecular Formula:
C10H12Cl2N2
Molecular Weight:
231.1217
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Product Description
Catalog Number:
AG01BEKN
Chemical Name:
2-(3-chloropropyl)-1H-1,3-benzodiazole hydrochloride
CAS Number:
54104-37-9
Molecular Formula:
C10H12Cl2N2
Molecular Weight:
231.1217
MDL Number:
MFCD28064082
IUPAC Name:
2-(3-chloropropyl)-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C10H11ClN2.ClH/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10;/h1-2,4-5H,3,6-7H2,(H,12,13);1H
InChI Key:
QKNGJODTRVZRDR-UHFFFAOYSA-N
SMILES:
ClCCCc1nc2c([nH]1)cccc2.Cl
NSC Number:
91911
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.12g/mol
Monoisotopic Mass:
230.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties