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183448-41-1 | 1,2-Benzenedicarboxylic acid, 3-fluoro-, 1,2-dimethyl ester
CAS No: 183448-41-1 Catalog No: AG0027LF MDL No:
Product Description
Catalog Number:
AG0027LF
Chemical Name:
1,2-Benzenedicarboxylic acid, 3-fluoro-, 1,2-dimethyl ester
CAS Number:
183448-41-1
Molecular Formula:
C10H9FO4
Molecular Weight:
212.1745
IUPAC Name:
dimethyl 3-fluorobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C10H9FO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,1-2H3
InChI Key:
CHGPELMANYOUNH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cccc1C(=O)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.176g/mol
Monoisotopic Mass:
212.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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