Home Carbonyls 3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-fluorobenzoic acid

3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-fluorobenzoic acid

CAS No.:
1339407-92-9
Catalog Number:
AG01AJLU
Molecular Formula:
C22H16FNO4
Molecular Weight:
377.3651
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Product Description
Catalog Number:
AG01AJLU
Chemical Name:
3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-fluorobenzoic acid
CAS Number:
1339407-92-9
Molecular Formula:
C22H16FNO4
Molecular Weight:
377.3651
MDL Number:
MFCD18328444
IUPAC Name:
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluorobenzoic acid
InChI:
InChI=1S/C22H16FNO4/c23-19-10-9-13(21(25)26)11-20(19)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12H2,(H,24,27)(H,25,26)
InChI Key:
SHTPNLJACINZNG-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(ccc1F)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
563  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.106g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
377.371g/mol
Monoisotopic Mass:
377.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties