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20772-09-2 | 2-Propanone, 1-bromo-3-(3-bromophenyl)-
CAS No: 20772-09-2 Catalog No: AG002J7T MDL No:MFCD11847554
Product Description
Catalog Number:
AG002J7T
Chemical Name:
2-Propanone, 1-bromo-3-(3-bromophenyl)-
CAS Number:
20772-09-2
Molecular Formula:
C9H8Br2O
Molecular Weight:
291.9672
MDL Number:
MFCD11847554
IUPAC Name:
1-bromo-3-(3-bromophenyl)propan-2-one
InChI:
InChI=1S/C9H8Br2O/c10-6-9(12)5-7-2-1-3-8(11)4-7/h1-4H,5-6H2
InChI Key:
BBJLLMBVMZQQNF-UHFFFAOYSA-N
SMILES:
BrCC(=O)Cc1cccc(c1)Br
Properties
Complexity:
159
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:
3.3
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