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DIMETHYL 2-(4-FLUOROBENZYL)MALONATE

CAS No.:
252938-22-0
Catalog Number:
AG003PKX
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
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Product Description
Catalog Number:
AG003PKX
Chemical Name:
DIMETHYL 2-(4-FLUOROBENZYL)MALONATE
CAS Number:
252938-22-0
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
MDL Number:
MFCD01934558
IUPAC Name:
dimethyl 2-[(4-fluorophenyl)methyl]propanedioate
InChI:
InChI=1S/C12H13FO4/c1-16-11(14)10(12(15)17-2)7-8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3
InChI Key:
WDFUURBBGZTSIA-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)Cc1ccc(cc1)F
Properties
Complexity:
256  
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  
Properties