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20039-93-4 | 2,5-Cyclohexadien-1-one, 2,6-dibromo-4-hydroxy-4-methyl-
CAS No: 20039-93-4 Catalog No: AG002CQ2 MDL No:
Product Description
Catalog Number:
AG002CQ2
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-dibromo-4-hydroxy-4-methyl-
CAS Number:
20039-93-4
Molecular Formula:
C7H6Br2O2
Molecular Weight:
281.9293
IUPAC Name:
2,6-dibromo-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C7H6Br2O2/c1-7(11)2-4(8)6(10)5(9)3-7/h2-3,11H,1H3
InChI Key:
FHLJVGWCRSGYSP-UHFFFAOYSA-N
SMILES:
BrC1=CC(C)(O)C=C(C1=O)Br
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.871g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.931g/mol
Monoisotopic Mass:
279.873g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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