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Home > Bromides > 1261859-54-4
1261859-54-4 | 1-(4-bromo-3-chlorophenyl)-2-chloroethan-1-one
CAS No: 1261859-54-4 Catalog No: AG01ELTI MDL No:MFCD18390824
Product Description
Catalog Number:
AG01ELTI
Chemical Name:
1-(4-bromo-3-chlorophenyl)-2-chloroethan-1-one
CAS Number:
1261859-54-4
Molecular Formula:
C8H5BrCl2O
Molecular Weight:
267.9347
MDL Number:
MFCD18390824
IUPAC Name:
1-(4-bromo-3-chlorophenyl)-2-chloroethanone
InChI:
InChI=1S/C8H5BrCl2O/c9-6-2-1-5(3-7(6)11)8(12)4-10/h1-3H,4H2
InChI Key:
JSEZPHOQDWBSTO-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(c(c1)Cl)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.89g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.931g/mol
Monoisotopic Mass:
265.89g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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