Home Aminos 2-(carbamoylamino)-6-fluorobenzoic acid

2-(carbamoylamino)-6-fluorobenzoic acid

CAS No.:
1153395-59-5
Catalog Number:
AG01AJVG
Molecular Formula:
C8H7FN2O3
Molecular Weight:
198.1512
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Product Description
Catalog Number:
AG01AJVG
Chemical Name:
2-(carbamoylamino)-6-fluorobenzoic acid
CAS Number:
1153395-59-5
Molecular Formula:
C8H7FN2O3
Molecular Weight:
198.1512
MDL Number:
MFCD12171329
IUPAC Name:
2-(carbamoylamino)-6-fluorobenzoic acid
InChI:
InChI=1S/C8H7FN2O3/c9-4-2-1-3-5(11-8(10)14)6(4)7(12)13/h1-3H,(H,12,13)(H3,10,11,14)
InChI Key:
HALSQQVNTIMBSZ-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccc(c1C(=O)O)F
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
198.153g/mol
Monoisotopic Mass:
198.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties