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161190-28-9 | Ethanone, 2-bromo-1-[1-(3,4-dichlorophenyl)cyclobutyl]-
CAS No: 161190-28-9 Catalog No: AG001S94 MDL No:
Product Description
Catalog Number:
AG001S94
Chemical Name:
Ethanone, 2-bromo-1-[1-(3,4-dichlorophenyl)cyclobutyl]-
CAS Number:
161190-28-9
Molecular Formula:
C12H11BrCl2O
Molecular Weight:
322.0251
IUPAC Name:
2-bromo-1-[1-(3,4-dichlorophenyl)cyclobutyl]ethanone
InChI:
InChI=1S/C12H11BrCl2O/c13-7-11(16)12(4-1-5-12)8-2-3-9(14)10(15)6-8/h2-3,6H,1,4-5,7H2
InChI Key:
GDLAAGCDLYXWCK-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1(CCC1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.937g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.023g/mol
Monoisotopic Mass:
319.937g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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