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1134327-76-6 | 1-Piperidinecarboxylic acid, 4-(2-fluorobenzoyl)-, 1,1-dimethylethyl ester
CAS No: 1134327-76-6 Catalog No: AG0008JO MDL No:MFCD11858454
Product Description
Catalog Number:
AG0008JO
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-fluorobenzoyl)-, 1,1-dimethylethyl ester
CAS Number:
1134327-76-6
Molecular Formula:
C17H22FNO3
Molecular Weight:
307.3599
MDL Number:
MFCD11858454
IUPAC Name:
tert-butyl 4-(2-fluorobenzoyl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-12(9-11-19)15(20)13-6-4-5-7-14(13)18/h4-7,12H,8-11H2,1-3H3
InChI Key:
YYDXZEMJOXFAPV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)C(=O)c1ccccc1F)OC(C)(C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.365g/mol
Monoisotopic Mass:
307.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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