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Home > Fluorides > 121482-59-5
121482-59-5 | Propanedioic acid, 2-[(2-fluorophenyl)methyl]-, 1,3-dimethyl ester
CAS No: 121482-59-5 Catalog No: AG00150S MDL No:
Product Description
Catalog Number:
AG00150S
Chemical Name:
Propanedioic acid, 2-[(2-fluorophenyl)methyl]-, 1,3-dimethyl ester
CAS Number:
121482-59-5
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
IUPAC Name:
dimethyl 2-[(2-fluorophenyl)methyl]propanedioate
InChI:
InChI=1S/C12H13FO4/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h3-6,9H,7H2,1-2H3
InChI Key:
NOQPISZAVSUTLQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)Cc1ccccc1F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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