Home Other Building Blocks 2-acetamido-6-fluorobenzoic acid

2-acetamido-6-fluorobenzoic acid

CAS No.:
70413-91-1
Catalog Number:
AG01AIH9
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
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Product Description
Catalog Number:
AG01AIH9
Chemical Name:
2-acetamido-6-fluorobenzoic acid
CAS Number:
70413-91-1
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
MDL Number:
MFCD00275718
IUPAC Name:
2-acetamido-6-fluorobenzoic acid
InChI:
InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
IWTHKNXLQDASPO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1C(=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:
1.3  
Properties