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

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

CAS No.:
678988-22-2
Catalog Number:
AG01EKEL
Molecular Formula:
C23H17F2NO4
Molecular Weight:
409.3822
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Product Description
Catalog Number:
AG01EKEL
Chemical Name:
2-(2,5-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid
CAS Number:
678988-22-2
Molecular Formula:
C23H17F2NO4
Molecular Weight:
409.3822
MDL Number:
MFCD31420776
IUPAC Name:
2-(2,5-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
InChI:
InChI=1S/C23H17F2NO4/c24-13-9-10-20(25)18(11-13)21(22(27)28)26-23(29)30-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19,21H,12H2,(H,26,29)(H,27,28)
InChI Key:
IFRHOKKAJGRVJG-UHFFFAOYSA-N
SMILES:
O=C(NC(c1cc(F)ccc1F)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
610  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.113g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
409.389g/mol
Monoisotopic Mass:
409.113g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties