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869854-83-1 | 2-Propanone, 1-(4-bromophenyl)-1-hydroxy-, (1S)-
CAS No: 869854-83-1 Catalog No: AG004HDQ MDL No:
Product Description
Catalog Number:
AG004HDQ
Chemical Name:
2-Propanone, 1-(4-bromophenyl)-1-hydroxy-, (1S)-
CAS Number:
869854-83-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
(1S)-1-(4-bromophenyl)-1-hydroxypropan-2-one
InChI:
InChI=1S/C9H9BrO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5,9,12H,1H3/t9-/m1/s1
InChI Key:
CPKAAKNUOYCKDF-SECBINFHSA-N
SMILES:
O[C@@H](c1ccc(cc1)Br)C(=O)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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