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13195-79-4 | Ethanone, 2,2-dibromo-1-(4-bromophenyl)-
CAS No: 13195-79-4 Catalog No: AG000ZZ5 MDL No:MFCD00017858
Product Description
Catalog Number:
AG000ZZ5
Chemical Name:
Ethanone, 2,2-dibromo-1-(4-bromophenyl)-
CAS Number:
13195-79-4
Molecular Formula:
C8H5Br3O
Molecular Weight:
356.8367
MDL Number:
MFCD00017858
IUPAC Name:
2,2-dibromo-1-(4-bromophenyl)ethanone
InChI:
InChI=1S/C8H5Br3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
InChI Key:
KFTUNOVZJWIKFX-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)C(Br)Br
EC Number:
236-161-0
NSC Number:
78440
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.787g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.839g/mol
Monoisotopic Mass:
353.789g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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