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1000534-18-8 | Benzeneethanol, 3-fluoro-5-methyl-
CAS No: 1000534-18-8 Catalog No: AG0000PQ MDL No:
Product Description
Catalog Number:
AG0000PQ
Chemical Name:
Benzeneethanol, 3-fluoro-5-methyl-
CAS Number:
1000534-18-8
Molecular Formula:
C9H11FO
Molecular Weight:
154.1814
IUPAC Name:
2-(3-fluoro-5-methylphenyl)ethanol
InChI:
InChI=1S/C9H11FO/c1-7-4-8(2-3-11)6-9(10)5-7/h4-6,11H,2-3H2,1H3
InChI Key:
OTILJLHCRMORIH-UHFFFAOYSA-N
SMILES:
OCCc1cc(C)cc(c1)F
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.184g/mol
Monoisotopic Mass:
154.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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