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Home > Fluorides > 1378822-03-7
1378822-03-7 | 4-(3-Fluoro-2-methylphenyl)-1-buten-4-ol
CAS No: 1378822-03-7 Catalog No: AG01FBZL MDL No:
Product Description
Catalog Number:
AG01FBZL
Chemical Name:
4-(3-Fluoro-2-methylphenyl)-1-buten-4-ol
CAS Number:
1378822-03-7
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-(3-fluoro-2-methylphenyl)but-3-en-1-ol
InChI:
InChI=1S/C11H13FO/c1-3-5-11(13)9-6-4-7-10(12)8(9)2/h3-4,6-7,11,13H,1,5H2,2H3
InChI Key:
ZMTRTAZZPXGWHJ-UHFFFAOYSA-N
SMILES:
Cc1c(C(CC=C)O)cccc1F
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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