Home Aminos Benzoic acid, 2,3-diamino-4-fluoro-, ethyl ester

Benzoic acid, 2,3-diamino-4-fluoro-, ethyl ester

CAS No.:
1936001-93-2
Catalog Number:
AG00IM4W
Molecular Formula:
C9H11FN2O2
Molecular Weight:
198.1942
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Product Description
Catalog Number:
AG00IM4W
Chemical Name:
Benzoic acid, 2,3-diamino-4-fluoro-, ethyl ester
CAS Number:
1936001-93-2
Molecular Formula:
C9H11FN2O2
Molecular Weight:
198.1942
MDL Number:
MFCD28503762
IUPAC Name:
ethyl 2,3-diamino-4-fluorobenzoate
InChI:
InChI=1S/C9H11FN2O2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2,11-12H2,1H3
InChI Key:
GKTLGVLLYNSCLE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1N)N)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.197g/mol
Monoisotopic Mass:
198.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties