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Home > Fluorides > 160681-98-1
160681-98-1 | Benzoic acid, 4-formyl-, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 160681-98-1 Catalog No: AG001S40 MDL No:
Product Description
Catalog Number:
AG001S40
Chemical Name:
Benzoic acid, 4-formyl-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
160681-98-1
Molecular Formula:
C14H5F5O3
Molecular Weight:
316.1797
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 4-formylbenzoate
InChI:
InChI=1S/C14H5F5O3/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(21)7-3-1-6(5-20)2-4-7/h1-5H
InChI Key:
UODUAOPYYXJDAI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.183g/mol
Monoisotopic Mass:
316.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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