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88174-76-9 | 2-Cyclohexen-1-one, 5-(3-bromo-2,4,5,6-tetramethylphenyl)-3-hydroxy-
CAS No: 88174-76-9 Catalog No: AG004F0B MDL No:
Product Description
Catalog Number:
AG004F0B
Chemical Name:
2-Cyclohexen-1-one, 5-(3-bromo-2,4,5,6-tetramethylphenyl)-3-hydroxy-
CAS Number:
88174-76-9
Molecular Formula:
C16H19BrO2
Molecular Weight:
323.2249
IUPAC Name:
5-(3-bromo-2,4,5,6-tetramethylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C16H19BrO2/c1-8-9(2)15(11(4)16(17)10(8)3)12-5-13(18)7-14(19)6-12/h7,12,18H,5-6H2,1-4H3
InChI Key:
JLUVJTMQNHIOKZ-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1c(C)c(C)c(c(c1C)Br)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.23g/mol
Monoisotopic Mass:
322.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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