Home Aminos 2-amino-5-(cyclohexyloxy)-4-fluorobenzoic acid

2-amino-5-(cyclohexyloxy)-4-fluorobenzoic acid

CAS No.:
1333827-63-6
Catalog Number:
AG01AKGL
Molecular Formula:
C13H16FNO3
Molecular Weight:
253.2694
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Product Description
Catalog Number:
AG01AKGL
Chemical Name:
2-amino-5-(cyclohexyloxy)-4-fluorobenzoic acid
CAS Number:
1333827-63-6
Molecular Formula:
C13H16FNO3
Molecular Weight:
253.2694
MDL Number:
MFCD15502668
IUPAC Name:
2-amino-5-cyclohexyloxy-4-fluorobenzoic acid
InChI:
InChI=1S/C13H16FNO3/c14-10-7-11(15)9(13(16)17)6-12(10)18-8-4-2-1-3-5-8/h6-8H,1-5,15H2,(H,16,17)
InChI Key:
JBCLCEDFJGXUSY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(OC2CCCCC2)c(cc1N)F
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.273g/mol
Monoisotopic Mass:
253.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties