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263550-60-3 | 1(2H)-Quinolinecarboxylic acid, 6-bromo-3,4-dihydro-4,4-dimethyl-, 1,1-dimethylethyl ester
CAS No: 263550-60-3 Catalog No: AG002SV3 MDL No:MFCD12913853
Product Description
Catalog Number:
AG002SV3
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 6-bromo-3,4-dihydro-4,4-dimethyl-, 1,1-dimethylethyl ester
CAS Number:
263550-60-3
Molecular Formula:
C16H22BrNO2
Molecular Weight:
340.2554
MDL Number:
MFCD12913853
IUPAC Name:
tert-butyl 6-bromo-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylate
InChI:
InChI=1S/C16H22BrNO2/c1-15(2,3)20-14(19)18-9-8-16(4,5)12-10-11(17)6-7-13(12)18/h6-7,10H,8-9H2,1-5H3
InChI Key:
PVUAPECQGXLGSZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.261g/mol
Monoisotopic Mass:
339.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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