Home Other Building Blocks 4-fluoro-3-[(methylsulfanyl)methyl]benzoic acid

4-fluoro-3-[(methylsulfanyl)methyl]benzoic acid

CAS No.:
1342751-84-1
Catalog Number:
AG019TER
Molecular Formula:
C9H9FO2S
Molecular Weight:
200.2300
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Product Description
Catalog Number:
AG019TER
Chemical Name:
4-fluoro-3-[(methylsulfanyl)methyl]benzoic acid
CAS Number:
1342751-84-1
Molecular Formula:
C9H9FO2S
Molecular Weight:
200.2300
MDL Number:
MFCD17288059
IUPAC Name:
4-fluoro-3-(methylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C9H9FO2S/c1-13-5-7-4-6(9(11)12)2-3-8(7)10/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
OFQRPVIMNPPWMW-UHFFFAOYSA-N
SMILES:
CSCc1cc(ccc1F)C(=O)O
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.227g/mol
Monoisotopic Mass:
200.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties