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Home > Fluorides > 1379311-26-8
1379311-26-8 | 2-(3-Fluoro-6-methylphenyl)-2-pentanol
CAS No: 1379311-26-8 Catalog No: AG01FCON MDL No:
Product Description
Catalog Number:
AG01FCON
Chemical Name:
2-(3-Fluoro-6-methylphenyl)-2-pentanol
CAS Number:
1379311-26-8
Molecular Formula:
C12H17FO
Molecular Weight:
196.2612
IUPAC Name:
2-(5-fluoro-2-methylphenyl)pentan-2-ol
InChI:
InChI=1S/C12H17FO/c1-4-7-12(3,14)11-8-10(13)6-5-9(11)2/h5-6,8,14H,4,7H2,1-3H3
InChI Key:
JBPBILFGWPMTFS-UHFFFAOYSA-N
SMILES:
CC(c1cc(F)ccc1C)(CCC)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.265g/mol
Monoisotopic Mass:
196.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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