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87427-58-5 | Ethanone, 2-bromo-1-(3-bromo-4-chlorophenyl)-
CAS No: 87427-58-5 Catalog No: AG004J7W MDL No:MFCD18392526
Product Description
Catalog Number:
AG004J7W
Chemical Name:
Ethanone, 2-bromo-1-(3-bromo-4-chlorophenyl)-
CAS Number:
87427-58-5
Molecular Formula:
C8H5Br2ClO
Molecular Weight:
312.3857
MDL Number:
MFCD18392526
IUPAC Name:
2-bromo-1-(3-bromo-4-chlorophenyl)ethanone
InChI:
InChI=1S/C8H5Br2ClO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2
InChI Key:
VWCVEOFSDAFTHO-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)Br)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.838g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.385g/mol
Monoisotopic Mass:
309.84g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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