Home Carbonyls 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-fluorobenzoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-fluorobenzoic acid

CAS No.:
1185296-60-9
Catalog Number:
AG01AJLM
Molecular Formula:
C22H16FNO4
Molecular Weight:
377.3651
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Product Description
Catalog Number:
AG01AJLM
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-fluorobenzoic acid
CAS Number:
1185296-60-9
Molecular Formula:
C22H16FNO4
Molecular Weight:
377.3651
MDL Number:
MFCD02682191
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-fluorobenzoic acid
InChI:
InChI=1S/C22H16FNO4/c23-13-9-10-20(18(11-13)21(25)26)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26)
InChI Key:
WSVXSPJFKVBMET-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1C(=O)O)F)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:
4.8  
Properties