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89451-89-8 | Cyclobutanone, 4-bromo-3-(4-chlorophenyl)-2,2-dimethyl-
CAS No: 89451-89-8 Catalog No: AG00448C MDL No:
Product Description
Catalog Number:
AG00448C
Chemical Name:
Cyclobutanone, 4-bromo-3-(4-chlorophenyl)-2,2-dimethyl-
CAS Number:
89451-89-8
Molecular Formula:
C12H12BrClO
Molecular Weight:
287.5801
IUPAC Name:
4-bromo-3-(4-chlorophenyl)-2,2-dimethylcyclobutan-1-one
InChI:
InChI=1S/C12H12BrClO/c1-12(2)9(10(13)11(12)15)7-3-5-8(14)6-4-7/h3-6,9-10H,1-2H3
InChI Key:
PFKSHWVILNYVQI-UHFFFAOYSA-N
SMILES:
BrC1C(=O)C(C1c1ccc(cc1)Cl)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.581g/mol
Monoisotopic Mass:
285.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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