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Home > Fluorides > 1378585-51-3
1378585-51-3 | 1-(4-fluoro-2-methylphenyl)but-3-en-1-ol
CAS No: 1378585-51-3 Catalog No: AG00LB2B MDL No:MFCD16294113
Product Description
Catalog Number:
AG00LB2B
Chemical Name:
1-(4-fluoro-2-methylphenyl)but-3-en-1-ol
CAS Number:
1378585-51-3
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
MDL Number:
MFCD16294113
IUPAC Name:
1-(4-fluoro-2-methylphenyl)but-3-en-1-ol
InChI:
InChI=1S/C11H13FO/c1-3-4-11(13)10-6-5-9(12)7-8(10)2/h3,5-7,11,13H,1,4H2,2H3
InChI Key:
ZAPIOYYSNXOGPH-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(cc1C)F)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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