Home Sulfos 2-(4-difluoromethanesulfonylphenyl)acetic acid

2-(4-difluoromethanesulfonylphenyl)acetic acid

CAS No.:
1333683-19-4
Catalog Number:
AG01AKDH
Molecular Formula:
C9H8F2O4S
Molecular Weight:
250.2192
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Product Description
Catalog Number:
AG01AKDH
Chemical Name:
2-(4-difluoromethanesulfonylphenyl)acetic acid
CAS Number:
1333683-19-4
Molecular Formula:
C9H8F2O4S
Molecular Weight:
250.2192
MDL Number:
MFCD19982533
IUPAC Name:
2-[4-(difluoromethylsulfonyl)phenyl]acetic acid
InChI:
InChI=1S/C9H8F2O4S/c10-9(11)16(14,15)7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChI Key:
CDCGAFJAGLMQOT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)S(=O)(=O)C(F)F
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.011g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.216g/mol
Monoisotopic Mass:
250.011g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties