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263896-35-1 | 2-Butanone, 4-(4-bromophenyl)-4-hydroxy-, (4R)-
CAS No: 263896-35-1 Catalog No: AG002SZR MDL No:
Product Description
Catalog Number:
AG002SZR
Chemical Name:
2-Butanone, 4-(4-bromophenyl)-4-hydroxy-, (4R)-
CAS Number:
263896-35-1
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
(4R)-4-(4-bromophenyl)-4-hydroxybutan-2-one
InChI:
InChI=1S/C10H11BrO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,10,13H,6H2,1H3/t10-/m1/s1
InChI Key:
XMBLYMGMZVSQKM-SNVBAGLBSA-N
SMILES:
O[C@@H](c1ccc(cc1)Br)CC(=O)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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