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16733-29-2 | Benzenebutanoic acid, 3,5-dibromo-γ-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-γ-methyl-
CAS No: 16733-29-2 Catalog No: AG001XBK MDL No:
Product Description
Catalog Number:
AG001XBK
Chemical Name:
Benzenebutanoic acid, 3,5-dibromo-γ-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-γ-methyl-
CAS Number:
16733-29-2
Molecular Formula:
C17H14Br4O4
Molecular Weight:
601.9067
IUPAC Name:
4,4-bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid
InChI:
InChI=1S/C17H14Br4O4/c1-17(3-2-14(22)23,8-4-10(18)15(24)11(19)5-8)9-6-12(20)16(25)13(21)7-9/h4-7,24-25H,2-3H2,1H3,(H,22,23)
InChI Key:
OFLOJYUEVWVCRY-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C
NSC Number:
21588
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
601.758g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
601.911g/mol
Monoisotopic Mass:
597.763g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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