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

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

CAS No.:
1486953-68-7
Catalog Number:
AG01AJN0
Molecular Formula:
C19H16F3NO4
Molecular Weight:
379.3298
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Product Description
Catalog Number:
AG01AJN0
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl](2,2,2-trifluoroethyl)amino}acetic acid
CAS Number:
1486953-68-7
Molecular Formula:
C19H16F3NO4
Molecular Weight:
379.3298
MDL Number:
MFCD21647512
IUPAC Name:
2-[9H-fluoren-9-ylmethoxycarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
InChI:
InChI=1S/C19H16F3NO4/c20-19(21,22)11-23(9-17(24)25)18(26)27-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,24,25)
InChI Key:
XRLGIXQTAKEMSI-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(=O)OCC1c2ccccc2c2c1cccc2)CC(F)(F)F
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.103g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
379.335g/mol
Monoisotopic Mass:
379.103g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties