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89441-42-9 | 2-Butanone, 1,4-dibromo-4-(4-chlorophenyl)-3,3-dimethyl-
CAS No: 89441-42-9 Catalog No: AG004380 MDL No:
Product Description
Catalog Number:
AG004380
Chemical Name:
2-Butanone, 1,4-dibromo-4-(4-chlorophenyl)-3,3-dimethyl-
CAS Number:
89441-42-9
Molecular Formula:
C12H13Br2ClO
Molecular Weight:
368.4920
IUPAC Name:
1,4-dibromo-4-(4-chlorophenyl)-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C12H13Br2ClO/c1-12(2,10(16)7-13)11(14)8-3-5-9(15)6-4-8/h3-6,11H,7H2,1-2H3
InChI Key:
ARSCXVTUGXXKOV-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(C(c1ccc(cc1)Cl)Br)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.9g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.493g/mol
Monoisotopic Mass:
365.902g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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