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116087-13-9 | [1,1'-Biphenyl]-4,4'-diol, dibromo-3,3',5,5'-tetramethyl- (9CI)
CAS No: 116087-13-9 Catalog No: AG000BLQ MDL No:
Product Description
Catalog Number:
AG000BLQ
Chemical Name:
[1,1'-Biphenyl]-4,4'-diol, dibromo-3,3',5,5'-tetramethyl- (9CI)
CAS Number:
116087-13-9
Molecular Formula:
C16H16Br2O2
Molecular Weight:
400.1050
IUPAC Name:
3,5-dibromo-4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol
InChI:
InChI=1S/C16H16Br2O2/c1-7-5-11(6-8(2)15(7)19)12-13(17)9(3)16(20)10(4)14(12)18/h5-6,19-20H,1-4H3
InChI Key:
GYGDAVFFWGSLMD-UHFFFAOYSA-N
SMILES:
Oc1c(C)cc(cc1C)c1c(Br)c(C)c(c(c1Br)C)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.95g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.11g/mol
Monoisotopic Mass:
397.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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