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122947-94-8 | 1H-Imidazole, 5-(dichloromethyl)-4-nitro-1-(phenylmethyl)-
CAS No: 122947-94-8 Catalog No: AG000JT8 MDL No:
Product Description
Catalog Number:
AG000JT8
Chemical Name:
1H-Imidazole, 5-(dichloromethyl)-4-nitro-1-(phenylmethyl)-
CAS Number:
122947-94-8
Molecular Formula:
C11H9Cl2N3O2
Molecular Weight:
286.1141
IUPAC Name:
1-benzyl-5-(dichloromethyl)-4-nitroimidazole
InChI:
InChI=1S/C11H9Cl2N3O2/c12-10(13)9-11(16(17)18)14-7-15(9)6-8-4-2-1-3-5-8/h1-5,7,10H,6H2
InChI Key:
LPKZKTLBSIYPDV-UHFFFAOYSA-N
SMILES:
ClC(c1n(cnc1[N+](=O)[O-])Cc1ccccc1)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.112g/mol
Monoisotopic Mass:
285.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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