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139266-58-3 | 2,4-Hexadiene-1,6-dione, 1-(4-bromophenyl)-3,4-dihydroxy-6-(4-methylphenyl)-, (Z,Z)- (9CI)
CAS No: 139266-58-3 Catalog No: AG001ALY MDL No:
Product Description
Catalog Number:
AG001ALY
Chemical Name:
2,4-Hexadiene-1,6-dione, 1-(4-bromophenyl)-3,4-dihydroxy-6-(4-methylphenyl)-, (Z,Z)- (9CI)
CAS Number:
139266-58-3
Molecular Formula:
C19H15BrO4
Molecular Weight:
387.2240
IUPAC Name:
1-(4-bromophenyl)-1,6-dihydroxy-6-(4-methylphenyl)hexa-1,5-diene-3,4-dione
InChI:
InChI=1S/C19H15BrO4/c1-12-2-4-13(5-3-12)16(21)10-18(23)19(24)11-17(22)14-6-8-15(20)9-7-14/h2-11,21-22H,1H3
InChI Key:
HDNJOIHPXMXFKE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)/C=C(/C(=C/C(=O)c1ccc(cc1)Br)/O)\O
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.015g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.229g/mol
Monoisotopic Mass:
386.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.8
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