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Home > Bromides > 1255206-72-4
1255206-72-4 | Benzenemethanol, 6-bromo-3-hydroxy-2-methyl-
CAS No: 1255206-72-4 Catalog No: AG000NT1 MDL No:
Product Description
Catalog Number:
AG000NT1
Chemical Name:
Benzenemethanol, 6-bromo-3-hydroxy-2-methyl-
CAS Number:
1255206-72-4
Molecular Formula:
C8H9BrO2
Molecular Weight:
217.0599
IUPAC Name:
4-bromo-3-(hydroxymethyl)-2-methylphenol
InChI:
InChI=1S/C8H9BrO2/c1-5-6(4-10)7(9)2-3-8(5)11/h2-3,10-11H,4H2,1H3
InChI Key:
PCIBNCRQRIUZMN-UHFFFAOYSA-N
SMILES:
OCc1c(Br)ccc(c1C)O
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.062g/mol
Monoisotopic Mass:
215.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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