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35480-50-3 | Benzoic acid, 2,3-bis(2,2,2-trifluoroethoxy)
CAS No: 35480-50-3 Catalog No: AG00363R MDL No:
Product Description
Catalog Number:
AG00363R
Chemical Name:
Benzoic acid, 2,3-bis(2,2,2-trifluoroethoxy)
CAS Number:
35480-50-3
Molecular Formula:
C11H8F6O4
Molecular Weight:
318.1692
IUPAC Name:
2,3-bis(2,2,2-trifluoroethoxy)benzoic acid
InChI:
InChI=1S/C11H8F6O4/c12-10(13,14)4-20-7-3-1-2-6(9(18)19)8(7)21-5-11(15,16)17/h1-3H,4-5H2,(H,18,19)
InChI Key:
WMADYFXBXCQPHL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1OCC(F)(F)F)OCC(F)(F)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.171g/mol
Monoisotopic Mass:
318.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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