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Home > Fluorides > 1233951-67-1
1233951-67-1 | Carbamic acid, N-[1-(2-fluoro-6-nitrophenyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1233951-67-1 Catalog No: AG000KIH MDL No:MFCD17014034
Product Description
Catalog Number:
AG000KIH
Chemical Name:
Carbamic acid, N-[1-(2-fluoro-6-nitrophenyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1233951-67-1
Molecular Formula:
C16H22FN3O4
Molecular Weight:
339.3620
MDL Number:
MFCD17014034
IUPAC Name:
tert-butyl N-[1-(2-fluoro-6-nitrophenyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C16H22FN3O4/c1-16(2,3)24-15(21)18-11-7-9-19(10-8-11)14-12(17)5-4-6-13(14)20(22)23/h4-6,11H,7-10H2,1-3H3,(H,18,21)
InChI Key:
BXPVZZMXBMNDKR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1c(F)cccc1[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.367g/mol
Monoisotopic Mass:
339.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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