Home Halogens 2-(chloromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole hydrochloride

2-(chloromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole hydrochloride

CAS No.:
116269-41-1
Catalog Number:
AG01ELSU
Molecular Formula:
C8H12Cl2N2
Molecular Weight:
207.1003
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Product Description
Catalog Number:
AG01ELSU
Chemical Name:
2-(chloromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole hydrochloride
CAS Number:
116269-41-1
Molecular Formula:
C8H12Cl2N2
Molecular Weight:
207.1003
MDL Number:
MFCD31616604
IUPAC Name:
2-(chloromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C8H11ClN2.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-5H2,(H,10,11);1H
InChI Key:
VLIBLIMGKDEELV-UHFFFAOYSA-N
SMILES:
ClCc1nc2c([nH]1)CCCC2.Cl
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.098g/mol
Monoisotopic Mass:
206.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties