Home Carbonyls 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-[4-(trifluoromethyl)phenyl]acetic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-[4-(trifluoromethyl)phenyl]acetic acid

CAS No.:
433292-08-1
Catalog Number:
AG01EKGK
Molecular Formula:
C24H18F3NO4
Molecular Weight:
441.3992
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Product Description
Catalog Number:
AG01EKGK
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-[4-(trifluoromethyl)phenyl]acetic acid
CAS Number:
433292-08-1
Molecular Formula:
C24H18F3NO4
Molecular Weight:
441.3992
MDL Number:
MFCD31559673
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C24H18F3NO4/c25-24(26,27)15-11-9-14(10-12-15)21(22(29)30)28-23(31)32-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13H2,(H,28,31)(H,29,30)
InChI Key:
CGNVYWDHCWJPOR-UHFFFAOYSA-N
SMILES:
O=C(NC(c1ccc(cc1)C(F)(F)F)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
655  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.119g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
441.406g/mol
Monoisotopic Mass:
441.119g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties