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189166-55-0 | 2,4-Cyclohexadien-1-one, 4-bromo-6-methoxy-6-phenyl-
CAS No: 189166-55-0 Catalog No: AG002HZF MDL No:
Product Description
Catalog Number:
AG002HZF
Chemical Name:
2,4-Cyclohexadien-1-one, 4-bromo-6-methoxy-6-phenyl-
CAS Number:
189166-55-0
Molecular Formula:
C13H11BrO2
Molecular Weight:
279.1292
IUPAC Name:
4-bromo-6-methoxy-6-phenylcyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C13H11BrO2/c1-16-13(10-5-3-2-4-6-10)9-11(14)7-8-12(13)15/h2-9H,1H3
InChI Key:
HZXZMTJTIQFXPK-UHFFFAOYSA-N
SMILES:
COC1(C=C(Br)C=CC1=O)c1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.994g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.133g/mol
Monoisotopic Mass:
277.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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