Home Other Building Blocks 3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid

3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid

CAS No.:
1864061-65-3
Catalog Number:
AG01AUFR
Molecular Formula:
C11H10F2O2S
Molecular Weight:
244.2577
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Product Description
Catalog Number:
AG01AUFR
Chemical Name:
3-[(cyclopropylmethyl)sulfanyl]-2,6-difluorobenzoic acid
CAS Number:
1864061-65-3
Molecular Formula:
C11H10F2O2S
Molecular Weight:
244.2577
MDL Number:
MFCD29041099
IUPAC Name:
3-(cyclopropylmethylsulfanyl)-2,6-difluorobenzoic acid
InChI:
InChI=1S/C11H10F2O2S/c12-7-3-4-8(16-5-6-1-2-6)10(13)9(7)11(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChI Key:
LACGANVRKPXJLD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1F)SCC1CC1
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.037g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.256g/mol
Monoisotopic Mass:
244.037g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties