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Home > Fluorides > 138249-40-8
138249-40-8 | Benzoic acid, 2-fluoro-6-mercapto-
CAS No: 138249-40-8 Catalog No: AG0018EK MDL No:MFCD06797665
Product Description
Catalog Number:
AG0018EK
Chemical Name:
Benzoic acid, 2-fluoro-6-mercapto-
CAS Number:
138249-40-8
Molecular Formula:
C7H5FO2S
Molecular Weight:
172.1768
MDL Number:
MFCD06797665
IUPAC Name:
2-fluoro-6-sulfanylbenzoic acid
InChI:
InChI=1S/C7H5FO2S/c8-4-2-1-3-5(11)6(4)7(9)10/h1-3,11H,(H,9,10)
InChI Key:
MONQFOUDOJTJTH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cccc1S
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:
1.6
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