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149104-89-2 | Benzenemethanol, 4-bromo-3-methyl-
CAS No: 149104-89-2 Catalog No: AG001LE1 MDL No:MFCD09264005
Product Description
Catalog Number:
AG001LE1
Chemical Name:
Benzenemethanol, 4-bromo-3-methyl-
CAS Number:
149104-89-2
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
MDL Number:
MFCD09264005
IUPAC Name:
(4-bromo-3-methylphenyl)methanol
InChI:
InChI=1S/C8H9BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-4,10H,5H2,1H3
InChI Key:
HBSHHYYUASJVCG-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)C)Br
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.063g/mol
Monoisotopic Mass:
199.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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