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Home > Fluorides > 179064-47-2
179064-47-2 | Heptanedioic acid, 4-cyano-4-(2-fluorophenyl)-, 1,7-dimethyl ester
CAS No: 179064-47-2 Catalog No: AG0026RA MDL No:
Product Description
Catalog Number:
AG0026RA
Chemical Name:
Heptanedioic acid, 4-cyano-4-(2-fluorophenyl)-, 1,7-dimethyl ester
CAS Number:
179064-47-2
Molecular Formula:
C16H18FNO4
Molecular Weight:
307.3168
IUPAC Name:
dimethyl 4-cyano-4-(2-fluorophenyl)heptanedioate
InChI:
InChI=1S/C16H18FNO4/c1-21-14(19)7-9-16(11-18,10-8-15(20)22-2)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3
InChI Key:
YFXINTFBSRXUAT-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(c1ccccc1F)(CCC(=O)OC)C#N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.321g/mol
Monoisotopic Mass:
307.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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