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87682-04-0 | [1,1'-Biphenyl]-2,2'-diol, 3,3'-dibromo-5,5'-dimethyl-
CAS No: 87682-04-0 Catalog No: AG004GY2 MDL No:
Product Description
Catalog Number:
AG004GY2
Chemical Name:
[1,1'-Biphenyl]-2,2'-diol, 3,3'-dibromo-5,5'-dimethyl-
CAS Number:
87682-04-0
Molecular Formula:
C14H12Br2O2
Molecular Weight:
372.0519
IUPAC Name:
2-bromo-6-(3-bromo-2-hydroxy-5-methylphenyl)-4-methylphenol
InChI:
InChI=1S/C14H12Br2O2/c1-7-3-9(13(17)11(15)5-7)10-4-8(2)6-12(16)14(10)18/h3-6,17-18H,1-2H3
InChI Key:
UFTSJORPSRAZGJ-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)c1cc(C)cc(c1O)Br)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.918g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.056g/mol
Monoisotopic Mass:
369.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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