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1669-36-9 | 2,5-Cyclohexadien-1-one, 4-bromo-2,6-bis(1,1-dimethylethyl)-4-methyl-
CAS No: 1669-36-9 Catalog No: AG001X04 MDL No:
Product Description
Catalog Number:
AG001X04
Chemical Name:
2,5-Cyclohexadien-1-one, 4-bromo-2,6-bis(1,1-dimethylethyl)-4-methyl-
CAS Number:
1669-36-9
Molecular Formula:
C15H23BrO
Molecular Weight:
299.2465
IUPAC Name:
4-bromo-2,6-ditert-butyl-4-methylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C15H23BrO/c1-13(2,3)10-8-15(7,16)9-11(12(10)17)14(4,5)6/h8-9H,1-7H3
InChI Key:
ZGVYNOZZVZIHAO-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(C=C1C(C)(C)C)(C)Br)C(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.252g/mol
Monoisotopic Mass:
298.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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