Home Carbonyls 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,5-difluorobenzoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,5-difluorobenzoic acid

CAS No.:
1343071-33-9
Catalog Number:
AG01EKBK
Molecular Formula:
C22H15F2NO4
Molecular Weight:
395.3556
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Product Description
Catalog Number:
AG01EKBK
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,5-difluorobenzoic acid
CAS Number:
1343071-33-9
Molecular Formula:
C22H15F2NO4
Molecular Weight:
395.3556
MDL Number:
MFCD02682179
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5-difluorobenzoic acid
InChI:
InChI=1S/C22H15F2NO4/c23-18-9-16(21(26)27)20(10-19(18)24)25-22(28)29-11-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-10,17H,11H2,(H,25,28)(H,26,27)
InChI Key:
IQNIPJBSPUTFTG-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(F)c(cc1C(=O)O)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.097g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
395.362g/mol
Monoisotopic Mass:
395.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties