Home Carbonyls 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(4-fluorophenyl)propanoic acid

3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(4-fluorophenyl)propanoic acid

CAS No.:
1822811-69-7
Catalog Number:
AG01EKGF
Molecular Formula:
C24H20FNO4
Molecular Weight:
405.4183
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Product Description
Catalog Number:
AG01EKGF
Chemical Name:
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(4-fluorophenyl)propanoic acid
CAS Number:
1822811-69-7
Molecular Formula:
C24H20FNO4
Molecular Weight:
405.4183
MDL Number:
MFCD31558786
IUPAC Name:
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-fluorophenyl)propanoic acid
InChI:
InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)21(23(27)28)13-26-24(29)30-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
InChI Key:
MRKNBVBFPVLABO-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCC(c1ccc(cc1)F)C(=O)O
Properties
Complexity:
584  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.138g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
405.425g/mol
Monoisotopic Mass:
405.138g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties