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Home > Fluorides > 951889-09-1
951889-09-1 | 3-(3-Fluoro-5-methoxyphenyl)-2-methyl-1-propene
CAS No: 951889-09-1 Catalog No: AG01EZT5 MDL No:
Product Description
Catalog Number:
AG01EZT5
Chemical Name:
3-(3-Fluoro-5-methoxyphenyl)-2-methyl-1-propene
CAS Number:
951889-09-1
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-fluoro-3-methoxy-5-(2-methylprop-2-enyl)benzene
InChI:
InChI=1S/C11H13FO/c1-8(2)4-9-5-10(12)7-11(6-9)13-3/h5-7H,1,4H2,2-3H3
InChI Key:
HTDLBBSHWRRRJY-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=C)C)cc(c1)F
Properties
Complexity:
179
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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