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Home > Fluorides > 842123-82-4
842123-82-4 | 1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CAS No: 842123-82-4 Catalog No: AG00LGFW MDL No:MFCD06201133
Product Description
Catalog Number:
AG00LGFW
Chemical Name:
1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CAS Number:
842123-82-4
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
MDL Number:
MFCD06201133
IUPAC Name:
1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
InChI:
InChI=1S/C11H13FO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h3,5-7,11,13H,1,4H2,2H3
InChI Key:
VKRVXWMJSBTSNR-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(c(c1)F)C)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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