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116038-76-7 | Benzenemethanol, 2,6-dibromo-4-hydroxy-3,5-dimethyl-
CAS No: 116038-76-7 Catalog No: AG000BFY MDL No:
Product Description
Catalog Number:
AG000BFY
Chemical Name:
Benzenemethanol, 2,6-dibromo-4-hydroxy-3,5-dimethyl-
CAS Number:
116038-76-7
Molecular Formula:
C9H10Br2O2
Molecular Weight:
309.9825
IUPAC Name:
3,5-dibromo-4-(hydroxymethyl)-2,6-dimethylphenol
InChI:
InChI=1S/C9H10Br2O2/c1-4-7(10)6(3-12)8(11)5(2)9(4)13/h12-13H,3H2,1-2H3
InChI Key:
DDLSALJVRXFZIF-UHFFFAOYSA-N
SMILES:
OCc1c(Br)c(C)c(c(c1Br)C)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.903g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.985g/mol
Monoisotopic Mass:
307.905g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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