Home Halogens 5-(chloromethyl)-1-methyl-4-nitro-1H-imidazole

5-(chloromethyl)-1-methyl-4-nitro-1H-imidazole

CAS No.:
133587-87-8
Catalog Number:
AG019SN1
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
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Product Description
Catalog Number:
AG019SN1
Chemical Name:
5-(chloromethyl)-1-methyl-4-nitro-1H-imidazole
CAS Number:
133587-87-8
Molecular Formula:
C5H6ClN3O2
Molecular Weight:
175.5730
MDL Number:
MFCD11557211
IUPAC Name:
5-(chloromethyl)-1-methyl-4-nitroimidazole
InChI:
InChI=1S/C5H6ClN3O2/c1-8-3-7-5(9(10)11)4(8)2-6/h3H,2H2,1H3
InChI Key:
ZADABFJLBASRIB-UHFFFAOYSA-N
SMILES:
ClCc1n(C)cnc1[N+](=O)[O-]
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.572g/mol
Monoisotopic Mass:
175.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties