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10008-97-6 | Benzoic acid, 2-(1,1,2,2-tetrafluoroethoxy)-
CAS No: 10008-97-6 Catalog No: AG0000VJ MDL No:MFCD11858215
Product Description
Catalog Number:
AG0000VJ
Chemical Name:
Benzoic acid, 2-(1,1,2,2-tetrafluoroethoxy)-
CAS Number:
10008-97-6
Molecular Formula:
C9H6F4O3
Molecular Weight:
238.1358
MDL Number:
MFCD11858215
IUPAC Name:
2-(1,1,2,2-tetrafluoroethoxy)benzoic acid
InChI:
InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-4-2-1-3-5(6)7(14)15/h1-4,8H,(H,14,15)
InChI Key:
SKLLNTQHBPZMDI-UHFFFAOYSA-N
SMILES:
FC(C(Oc1ccccc1C(=O)O)(F)F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.138g/mol
Monoisotopic Mass:
238.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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