Home Aminos 2-[(ethylcarbamoyl)amino]-6-fluorobenzoic acid

2-[(ethylcarbamoyl)amino]-6-fluorobenzoic acid

CAS No.:
1153395-12-0
Catalog Number:
AG01A85H
Molecular Formula:
C10H11FN2O3
Molecular Weight:
226.2043
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Product Description
Catalog Number:
AG01A85H
Chemical Name:
2-[(ethylcarbamoyl)amino]-6-fluorobenzoic acid
CAS Number:
1153395-12-0
Molecular Formula:
C10H11FN2O3
Molecular Weight:
226.2043
MDL Number:
MFCD12171326
IUPAC Name:
2-(ethylcarbamoylamino)-6-fluorobenzoic acid
InChI:
InChI=1S/C10H11FN2O3/c1-2-12-10(16)13-7-5-3-4-6(11)8(7)9(14)15/h3-5H,2H2,1H3,(H,14,15)(H2,12,13,16)
InChI Key:
DNKWITUQMVGRPV-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1cccc(c1C(=O)O)F
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
226.207g/mol
Monoisotopic Mass:
226.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties