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1354940-65-0 | ETHYL 2-FLUORO-4-(METHYLSULFONYL)BENZOATE
CAS No: 1354940-65-0 Catalog No: AG003Q42 MDL No:MFCD21332899
Product Description
Catalog Number:
AG003Q42
Chemical Name:
ETHYL 2-FLUORO-4-(METHYLSULFONYL)BENZOATE
CAS Number:
1354940-65-0
Molecular Formula:
C10H11FO4S
Molecular Weight:
246.2553
MDL Number:
MFCD21332899
IUPAC Name:
ethyl 2-fluoro-4-methylsulfonylbenzoate
InChI:
InChI=1S/C10H11FO4S/c1-3-15-10(12)8-5-4-7(6-9(8)11)16(2,13)14/h4-6H,3H2,1-2H3
InChI Key:
JEGVAJVWNFGOCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1F)S(=O)(=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.252g/mol
Monoisotopic Mass:
246.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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