Home Carboxys 1-{[(tert-butoxy)carbonyl]amino}-4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid

1-{[(tert-butoxy)carbonyl]amino}-4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid

CAS No.:
1551287-44-5
Catalog Number:
AG01EKDM
Molecular Formula:
C15H18FNO4
Molecular Weight:
295.3061
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Product Description
Catalog Number:
AG01EKDM
Chemical Name:
1-{[(tert-butoxy)carbonyl]amino}-4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
1551287-44-5
Molecular Formula:
C15H18FNO4
Molecular Weight:
295.3061
MDL Number:
MFCD30829593
IUPAC Name:
4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C15H18FNO4/c1-14(2,3)21-13(20)17-15(12(18)19)8-7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
XANRGZSRRVRXGN-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCc2c1cccc2F)C(=O)O)OC(C)(C)C
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.122g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.31g/mol
Monoisotopic Mass:
295.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties