Home Halogens 1-(2-chloroethyl)-2-methyl-5-nitro-1H-imidazole hydrochloride

1-(2-chloroethyl)-2-methyl-5-nitro-1H-imidazole hydrochloride

CAS No.:
1049762-81-3
Catalog Number:
AG01BD11
Molecular Formula:
C6H9Cl2N3O2
Molecular Weight:
226.0606
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Product Description
Catalog Number:
AG01BD11
Chemical Name:
1-(2-chloroethyl)-2-methyl-5-nitro-1H-imidazole hydrochloride
CAS Number:
1049762-81-3
Molecular Formula:
C6H9Cl2N3O2
Molecular Weight:
226.0606
MDL Number:
MFCD07285220
IUPAC Name:
1-(2-chloroethyl)-2-methyl-5-nitroimidazole;hydrochloride
InChI:
InChI=1S/C6H8ClN3O2.ClH/c1-5-8-4-6(10(11)12)9(5)3-2-7;/h4H,2-3H2,1H3;1H
InChI Key:
UZKAWHYACQAMCH-UHFFFAOYSA-N
SMILES:
ClCCn1c(C)ncc1[N+](=O)[O-].Cl
NSC Number:
83275
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.007g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.057g/mol
Monoisotopic Mass:
225.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties