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Home > Fluorides > 198554-07-3
198554-07-3 | 2-Propenoic acid, 2-cyano-3-(2-fluorophenyl)-, methyl ester
CAS No: 198554-07-3 Catalog No: AG002BLR MDL No:
Product Description
Catalog Number:
AG002BLR
Chemical Name:
2-Propenoic acid, 2-cyano-3-(2-fluorophenyl)-, methyl ester
CAS Number:
198554-07-3
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
IUPAC Name:
methyl 2-cyano-3-(2-fluorophenyl)prop-2-enoate
InChI:
InChI=1S/C11H8FNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3
InChI Key:
HCWKJLDXLZPUNT-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1F)C(=O)OC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.188g/mol
Monoisotopic Mass:
205.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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