Home Other Building Blocks 2-Acetamido-4-fluorobenzoic acid

2-Acetamido-4-fluorobenzoic acid

CAS No.:
394-27-4
Catalog Number:
AG003GAE
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
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Product Description
Catalog Number:
AG003GAE
Chemical Name:
2-Acetamido-4-fluorobenzoic acid
CAS Number:
394-27-4
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
MDL Number:
MFCD00665891
IUPAC Name:
2-acetamido-4-fluorobenzoic acid
InChI:
InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
FQNDKDYHEFCPRW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(F)ccc1C(=O)O
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:
2.1  
Properties