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19019-22-8 | 1-Butanone, 2-bromo-1-(5-bromo-2-hydroxyphenyl)-3-methyl-
CAS No: 19019-22-8 Catalog No: AG002EEE MDL No:
Product Description
Catalog Number:
AG002EEE
Chemical Name:
1-Butanone, 2-bromo-1-(5-bromo-2-hydroxyphenyl)-3-methyl-
CAS Number:
19019-22-8
Molecular Formula:
C11H12Br2O2
Molecular Weight:
336.0198
IUPAC Name:
2-bromo-1-(5-bromo-2-hydroxyphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C11H12Br2O2/c1-6(2)10(13)11(15)8-5-7(12)3-4-9(8)14/h3-6,10,14H,1-2H3
InChI Key:
LDFIKBBDLGKYLH-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1cc(Br)ccc1O)C(C)C
NSC Number:
115697
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.918g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.023g/mol
Monoisotopic Mass:
333.92g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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