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177937-86-9 | 1H-Imidazole, 2-[3-chloro-2-(chloromethyl)-1-propen-1-yl]-1-methyl-5-nitro-
CAS No: 177937-86-9 Catalog No: AG0025M2 MDL No:
Product Description
Catalog Number:
AG0025M2
Chemical Name:
1H-Imidazole, 2-[3-chloro-2-(chloromethyl)-1-propen-1-yl]-1-methyl-5-nitro-
CAS Number:
177937-86-9
Molecular Formula:
C8H9Cl2N3O2
Molecular Weight:
250.0820
IUPAC Name:
2-[3-chloro-2-(chloromethyl)prop-1-enyl]-1-methyl-5-nitroimidazole
InChI:
InChI=1S/C8H9Cl2N3O2/c1-12-7(2-6(3-9)4-10)11-5-8(12)13(14)15/h2,5H,3-4H2,1H3
InChI Key:
IYEJQGLODJDTHN-UHFFFAOYSA-N
SMILES:
ClCC(=Cc1ncc(n1C)[N+](=O)[O-])CCl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.079g/mol
Monoisotopic Mass:
249.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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