Home Other Building Blocks 2-FLUORO-4-MERCAPTOBENZOIC ACID

2-FLUORO-4-MERCAPTOBENZOIC ACID

CAS No.:
1026347-56-7
Catalog Number:
AG01BKK7
Molecular Formula:
C7H5FO2S
Molecular Weight:
172.1768
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Product Description
Catalog Number:
AG01BKK7
Chemical Name:
2-FLUORO-4-MERCAPTOBENZOIC ACID
CAS Number:
1026347-56-7
Molecular Formula:
C7H5FO2S
Molecular Weight:
172.1768
IUPAC Name:
2-fluoro-4-sulfanylbenzoic acid
InChI:
InChI=1S/C7H5FO2S/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,11H,(H,9,10)
InChI Key:
CBDZATKHEQYKOT-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)F)C(=O)O
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.173g/mol
Monoisotopic Mass:
171.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties