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139517-71-8 | Benzeneethanol, 5-bromo-2-methoxy-
CAS No: 139517-71-8 Catalog No: AG001B5V MDL No:
Product Description
Catalog Number:
AG001B5V
Chemical Name:
Benzeneethanol, 5-bromo-2-methoxy-
CAS Number:
139517-71-8
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
IUPAC Name:
2-(5-bromo-2-methoxyphenyl)ethanol
InChI:
InChI=1S/C9H11BrO2/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6,11H,4-5H2,1H3
InChI Key:
MJLMNJAALNCYOX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCO)Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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