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88489-80-9 | Benzoic acid, 4-[(heptafluoropropyl)sulfonyl]-
CAS No: 88489-80-9 Catalog No: AG0049QY MDL No:
Product Description
Catalog Number:
AG0049QY
Chemical Name:
Benzoic acid, 4-[(heptafluoropropyl)sulfonyl]-
CAS Number:
88489-80-9
Molecular Formula:
C10H5F7O4S
Molecular Weight:
354.1981
IUPAC Name:
4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)benzoic acid
InChI:
InChI=1S/C10H5F7O4S/c11-8(12,9(13,14)15)10(16,17)22(20,21)6-3-1-5(2-4-6)7(18)19/h1-4H,(H,18,19)
InChI Key:
KMVBVTQMEHZRCO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.98g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.195g/mol
Monoisotopic Mass:
353.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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