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190070-04-3 | 2-Hexenoic acid, 4-(4-chlorophenyl)-2-fluoro-5-methyl-, methyl ester
CAS No: 190070-04-3 Catalog No: AG002EAL MDL No:
Product Description
Catalog Number:
AG002EAL
Chemical Name:
2-Hexenoic acid, 4-(4-chlorophenyl)-2-fluoro-5-methyl-, methyl ester
CAS Number:
190070-04-3
Molecular Formula:
C14H16ClFO2
Molecular Weight:
270.7270
IUPAC Name:
methyl 4-(4-chlorophenyl)-2-fluoro-5-methylhex-2-enoate
InChI:
InChI=1S/C14H16ClFO2/c1-9(2)12(8-13(16)14(17)18-3)10-4-6-11(15)7-5-10/h4-9,12H,1-3H3
InChI Key:
XUJCKLGUJDWJHV-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC(c1ccc(cc1)Cl)C(C)C)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.728g/mol
Monoisotopic Mass:
270.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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