Home Halogens 5-chloro-2-(chloromethyl)-1-methyl-1H-1,3-benzodiazole hydrochloride

5-chloro-2-(chloromethyl)-1-methyl-1H-1,3-benzodiazole hydrochloride

CAS No.:
1173070-66-0
Catalog Number:
AG019V3Y
Molecular Formula:
C9H9Cl3N2
Molecular Weight:
251.5402
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Product Description
Catalog Number:
AG019V3Y
Chemical Name:
5-chloro-2-(chloromethyl)-1-methyl-1H-1,3-benzodiazole hydrochloride
CAS Number:
1173070-66-0
Molecular Formula:
C9H9Cl3N2
Molecular Weight:
251.5402
MDL Number:
MFCD11858117
IUPAC Name:
5-chloro-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride
InChI:
InChI=1S/C9H8Cl2N2.ClH/c1-13-8-3-2-6(11)4-7(8)12-9(13)5-10;/h2-4H,5H2,1H3;1H
InChI Key:
FOUUSMABJLHXCX-UHFFFAOYSA-N
SMILES:
ClCc1nc2c(n1C)ccc(c2)Cl.Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.983g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.535g/mol
Monoisotopic Mass:
249.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties