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90956-78-8 | 1-Propanone, 2,3-dibromo-1-(4-chlorophenyl)-3-(4-methoxyphenyl)-
CAS No: 90956-78-8 Catalog No: AG006GA0 MDL No:
Product Description
Catalog Number:
AG006GA0
Chemical Name:
1-Propanone, 2,3-dibromo-1-(4-chlorophenyl)-3-(4-methoxyphenyl)-
CAS Number:
90956-78-8
Molecular Formula:
C16H13Br2ClO2
Molecular Weight:
432.5342
IUPAC Name:
2,3-dibromo-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C16H13Br2ClO2/c1-21-13-8-4-10(5-9-13)14(17)15(18)16(20)11-2-6-12(19)7-3-11/h2-9,14-15H,1H3
InChI Key:
CJSYAXFJFFFAPO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(C(=O)c1ccc(cc1)Cl)Br)Br
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.895g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.536g/mol
Monoisotopic Mass:
429.897g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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