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1416440-32-8 | 1H-Indene-2-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-2,3-dihydro-
CAS No: 1416440-32-8 Catalog No: AG001GT7 MDL No:MFCD22689929
Product Description
Catalog Number:
AG001GT7
Chemical Name:
1H-Indene-2-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-2,3-dihydro-
CAS Number:
1416440-32-8
Molecular Formula:
C15H18FNO4
Molecular Weight:
295.3061
MDL Number:
MFCD22689929
IUPAC Name:
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylic acid
InChI:
InChI=1S/C15H18FNO4/c1-14(2,3)21-13(20)17-15(12(18)19)7-9-4-5-11(16)6-10(9)8-15/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
RHJCQFMLHDNTBL-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)CC(C2)(NC(=O)OC(C)(C)C)C(=O)O
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
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