Home Carbonyls 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-[1-(trifluoromethyl)cyclopropyl]acetic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-[1-(trifluoromethyl)cyclopropyl]acetic acid

CAS No.:
2137462-64-5
Catalog Number:
AG01EKRU
Molecular Formula:
C21H18F3NO4
Molecular Weight:
405.3671
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Product Description
Catalog Number:
AG01EKRU
Chemical Name:
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-[1-(trifluoromethyl)cyclopropyl]acetic acid
CAS Number:
2137462-64-5
Molecular Formula:
C21H18F3NO4
Molecular Weight:
405.3671
MDL Number:
MFCD31558793
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(trifluoromethyl)cyclopropyl]acetic acid
InChI:
InChI=1S/C21H18F3NO4/c22-21(23,24)20(9-10-20)17(18(26)27)25-19(28)29-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,25,28)(H,26,27)
InChI Key:
VNLPVSVGNCEUOA-UHFFFAOYSA-N
SMILES:
O=C(NC(C1(CC1)C(F)(F)F)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
626  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.119g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
405.373g/mol
Monoisotopic Mass:
405.119g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties