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179894-35-0 | 1(2H)-Quinolinecarboxylic acid, 6-bromo-2,2,4-trimethyl-, 1,1-dimethylethyl ester
CAS No: 179894-35-0 Catalog No: AG0027BW MDL No:
Product Description
Catalog Number:
AG0027BW
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 6-bromo-2,2,4-trimethyl-, 1,1-dimethylethyl ester
CAS Number:
179894-35-0
Molecular Formula:
C17H22BrNO2
Molecular Weight:
352.2661
IUPAC Name:
tert-butyl 6-bromo-2,2,4-trimethylquinoline-1-carboxylate
InChI:
InChI=1S/C17H22BrNO2/c1-11-10-17(5,6)19(15(20)21-16(2,3)4)14-8-7-12(18)9-13(11)14/h7-10H,1-6H3
InChI Key:
XRXWEWROZPBVFS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=CC(N2C(=O)OC(C)(C)C)(C)C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.272g/mol
Monoisotopic Mass:
351.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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