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Home > Fluorides > 114140-99-7
114140-99-7 | 2-Propenoic acid, 3-[(4-fluorophenyl)sulfonyl]-, methyl ester, (Z)- (9CI)
CAS No: 114140-99-7 Catalog No: AG000ANW MDL No:
Product Description
Catalog Number:
AG000ANW
Chemical Name:
2-Propenoic acid, 3-[(4-fluorophenyl)sulfonyl]-, methyl ester, (Z)- (9CI)
CAS Number:
114140-99-7
Molecular Formula:
C10H9FO4S
Molecular Weight:
244.2395
IUPAC Name:
methyl 3-(4-fluorophenyl)sulfonylprop-2-enoate
InChI:
InChI=1S/C10H9FO4S/c1-15-10(12)6-7-16(13,14)9-4-2-8(11)3-5-9/h2-7H,1H3
InChI Key:
GQWXCSQEVLZTIT-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\S(=O)(=O)c1ccc(cc1)F
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.236g/mol
Monoisotopic Mass:
244.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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