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20772-10-5 | 2-Propanone, 1-bromo-3-(4-bromophenyl)-
CAS No: 20772-10-5 Catalog No: AG002J7S MDL No:
Product Description
Catalog Number:
AG002J7S
Chemical Name:
2-Propanone, 1-bromo-3-(4-bromophenyl)-
CAS Number:
20772-10-5
Molecular Formula:
C9H8Br2O
Molecular Weight:
291.9672
IUPAC Name:
1-bromo-3-(4-bromophenyl)propan-2-one
InChI:
InChI=1S/C9H8Br2O/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4H,5-6H2
InChI Key:
ZNELHTAJZZIRPC-UHFFFAOYSA-N
SMILES:
BrCC(=O)Cc1ccc(cc1)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.892g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.97g/mol
Monoisotopic Mass:
289.894g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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