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Home > Fluorides > 1249487-45-3
1249487-45-3 | 1-(3-Fluoro-6-methylphenyl)-1-propanol
CAS No: 1249487-45-3 Catalog No: AG01ER96 MDL No:
Product Description
Catalog Number:
AG01ER96
Chemical Name:
1-(3-Fluoro-6-methylphenyl)-1-propanol
CAS Number:
1249487-45-3
Molecular Formula:
C10H13FO
Molecular Weight:
168.2080
IUPAC Name:
1-(5-fluoro-2-methylphenyl)propan-1-ol
InChI:
InChI=1S/C10H13FO/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,10,12H,3H2,1-2H3
InChI Key:
QPNKMFPCOYAVDF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(CC)O)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.211g/mol
Monoisotopic Mass:
168.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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