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222639-41-0 | 2-((4-Fluorobenzyl)sulfonyl)acetic acid
CAS No: 222639-41-0 Catalog No: AG003BVV MDL No:MFCD06208212
Product Description
Catalog Number:
AG003BVV
Chemical Name:
2-((4-Fluorobenzyl)sulfonyl)acetic acid
CAS Number:
222639-41-0
Molecular Formula:
C9H9FO4S
Molecular Weight:
232.2288
MDL Number:
MFCD06208212
IUPAC Name:
2-[(4-fluorophenyl)methylsulfonyl]acetic acid
InChI:
InChI=1S/C9H9FO4S/c10-8-3-1-7(2-4-8)5-15(13,14)6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
STQLDAZMDJUSKV-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)Cc1ccc(cc1)F
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.225g/mol
Monoisotopic Mass:
232.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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