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89372-69-0 | 1H-Imidazole, 1-[[2,2-dichloro-1-(4-chlorophenyl)cyclopropyl]carbonyl]-
CAS No: 89372-69-0 Catalog No: AG003YV8 MDL No:
Product Description
Catalog Number:
AG003YV8
Chemical Name:
1H-Imidazole, 1-[[2,2-dichloro-1-(4-chlorophenyl)cyclopropyl]carbonyl]-
CAS Number:
89372-69-0
Molecular Formula:
C13H9Cl3N2O
Molecular Weight:
315.5824
IUPAC Name:
[2,2-dichloro-1-(4-chlorophenyl)cyclopropyl]-imidazol-1-ylmethanone
InChI:
InChI=1S/C13H9Cl3N2O/c14-10-3-1-9(2-4-10)12(7-13(12,15)16)11(19)18-6-5-17-8-18/h1-6,8H,7H2
InChI Key:
BPEUITZXSDHXPG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1(CC1(Cl)Cl)C(=O)n1cncc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.978g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.578g/mol
Monoisotopic Mass:
313.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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