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1236060-43-7 | 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-7-nitro-, 1,1-dimethylethyl ester
CAS No: 1236060-43-7 Catalog No: AG000KUO MDL No:MFCD19689572
Product Description
Catalog Number:
AG000KUO
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-7-nitro-, 1,1-dimethylethyl ester
CAS Number:
1236060-43-7
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD19689572
IUPAC Name:
tert-butyl 7-nitro-3,4-dihydro-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(17)15-8-4-5-10-6-7-11(16(18)19)9-12(10)15/h6-7,9H,4-5,8H2,1-3H3
InChI Key:
GDVQRCJULOFJNG-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cc(cc2)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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