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Home > Fluorides > 100980-86-7
100980-86-7 | Benzoic acid, 4-(propoxymethyl)-, 4-cyano-3-fluorophenyl ester
CAS No: 100980-86-7 Catalog No: AG0003CW MDL No:
Product Description
Catalog Number:
AG0003CW
Chemical Name:
Benzoic acid, 4-(propoxymethyl)-, 4-cyano-3-fluorophenyl ester
CAS Number:
100980-86-7
Molecular Formula:
C18H16FNO3
Molecular Weight:
313.3229
IUPAC Name:
(4-cyano-3-fluorophenyl) 4-(propoxymethyl)benzoate
InChI:
InChI=1S/C18H16FNO3/c1-2-9-22-12-13-3-5-14(6-4-13)18(21)23-16-8-7-15(11-20)17(19)10-16/h3-8,10H,2,9,12H2,1H3
InChI Key:
UGPYJKPYNQWEGN-UHFFFAOYSA-N
SMILES:
CCCOCc1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.328g/mol
Monoisotopic Mass:
313.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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