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1011-26-3 | 1-Butanone, 2-bromo-1-(4-chlorophenyl)-
CAS No: 1011-26-3 Catalog No: AG0003QY MDL No:MFCD12031566
Product Description
Catalog Number:
AG0003QY
Chemical Name:
1-Butanone, 2-bromo-1-(4-chlorophenyl)-
CAS Number:
1011-26-3
Molecular Formula:
C10H10BrClO
Molecular Weight:
261.5428
MDL Number:
MFCD12031566
IUPAC Name:
2-bromo-1-(4-chlorophenyl)butan-1-one
InChI:
InChI=1S/C10H10BrClO/c1-2-9(11)10(13)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3
InChI Key:
BYOSXLUJIZHWMJ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)Cl)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.543g/mol
Monoisotopic Mass:
259.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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