Home Carbonyls 4-fluoro-3-[(methoxycarbonyl)amino]benzoic acid

4-fluoro-3-[(methoxycarbonyl)amino]benzoic acid

CAS No.:
1184494-06-1
Catalog Number:
AG01C9B4
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
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Product Description
Catalog Number:
AG01C9B4
Chemical Name:
4-fluoro-3-[(methoxycarbonyl)amino]benzoic acid
CAS Number:
1184494-06-1
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
MDL Number:
MFCD12158581
IUPAC Name:
4-fluoro-3-(methoxycarbonylamino)benzoic acid
InChI:
InChI=1S/C9H8FNO4/c1-15-9(14)11-7-4-5(8(12)13)2-3-6(7)10/h2-4H,1H3,(H,11,14)(H,12,13)
InChI Key:
QWOYHGMHRZPAJG-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cc(ccc1F)C(=O)O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.164g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties