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2302-28-5 | 1H-Imidazole, 5-chloro-1-ethyl-2-methyl-4-nitro-
CAS No: 2302-28-5 Catalog No: AG002LWN MDL No:MFCD01928390
Product Description
Catalog Number:
AG002LWN
Chemical Name:
1H-Imidazole, 5-chloro-1-ethyl-2-methyl-4-nitro-
CAS Number:
2302-28-5
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
MDL Number:
MFCD01928390
IUPAC Name:
5-chloro-1-ethyl-2-methyl-4-nitroimidazole
InChI:
InChI=1S/C6H8ClN3O2/c1-3-9-4(2)8-6(5(9)7)10(11)12/h3H2,1-2H3
InChI Key:
MVICIJDNZUMTFU-UHFFFAOYSA-N
SMILES:
CCn1c(C)nc(c1Cl)[N+](=O)[O-]
NSC Number:
7864
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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