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28818-25-9 | Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-
CAS No: 28818-25-9 Catalog No: AG002WMX MDL No:
Product Description
Catalog Number:
AG002WMX
Chemical Name:
Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-
CAS Number:
28818-25-9
Molecular Formula:
C20H12Br4O4
Molecular Weight:
635.9229
IUPAC Name:
2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid
InChI:
InChI=1S/C20H12Br4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-8,17,25-26H,(H,27,28)
InChI Key:
SACPOXDCLJOPIM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(c1cc(Br)c(c(c1)Br)O)c1cc(Br)c(c(c1)Br)O
NSC Number:
40653
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.743g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
635.928g/mol
Monoisotopic Mass:
631.747g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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