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Home Halogens 2-(chloromethyl)-6-nitro-1H-1,3-benzodiazole hydrochloride

2-(chloromethyl)-6-nitro-1H-1,3-benzodiazole hydrochloride

CAS No.:
1092698-81-1
Catalog Number:
AG00HBEW
Molecular Formula:
C8H7Cl2N3O2
Molecular Weight:
248.0661
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Product Description
Catalog Number:
AG00HBEW
Chemical Name:
2-(chloromethyl)-6-nitro-1H-1,3-benzodiazole hydrochloride
CAS Number:
1092698-81-1
Molecular Formula:
C8H7Cl2N3O2
Molecular Weight:
248.0661
MDL Number:
MFCD08445314
IUPAC Name:
2-(chloromethyl)-6-nitro-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C8H6ClN3O2.ClH/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8;/h1-3H,4H2,(H,10,11);1H
InChI Key:
GYVIDFGAPHVFSL-UHFFFAOYSA-N
SMILES:
ClCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-].Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.992g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
246.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties