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Home > Bromides > 1280786-92-6
1280786-92-6 | 1-Pentanone, 1-(3-bromo-4-chlorophenyl)-
CAS No: 1280786-92-6 Catalog No: AG000XSA MDL No:MFCD18783206
Product Description
Catalog Number:
AG000XSA
Chemical Name:
1-Pentanone, 1-(3-bromo-4-chlorophenyl)-
CAS Number:
1280786-92-6
Molecular Formula:
C11H12BrClO
Molecular Weight:
275.5694
MDL Number:
MFCD18783206
IUPAC Name:
1-(3-bromo-4-chlorophenyl)pentan-1-one
InChI:
InChI=1S/C11H12BrClO/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h5-7H,2-4H2,1H3
InChI Key:
NXNAFGXGZHYVRW-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(c(c1)Br)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.57g/mol
Monoisotopic Mass:
273.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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