Home Other Building Blocks 5-acetamido-2-fluorobenzoic acid

5-acetamido-2-fluorobenzoic acid

CAS No.:
939909-22-5
Catalog Number:
AG019X2G
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
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Product Description
Catalog Number:
AG019X2G
Chemical Name:
5-acetamido-2-fluorobenzoic acid
CAS Number:
939909-22-5
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
MDL Number:
MFCD12149159
IUPAC Name:
5-acetamido-2-fluorobenzoic acid
InChI:
InChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
HGFZDZZEWWPKIB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C(=O)O)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.165g/mol
Monoisotopic Mass:
197.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties