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1447606-50-9 | Carbamic acid, N-(4-chloro-6-quinolinyl)-, 1,1-dimethylethyl ester
CAS No: 1447606-50-9 Catalog No: AG001K44 MDL No:
Product Description
Catalog Number:
AG001K44
Chemical Name:
Carbamic acid, N-(4-chloro-6-quinolinyl)-, 1,1-dimethylethyl ester
CAS Number:
1447606-50-9
Molecular Formula:
C14H15ClN2O2
Molecular Weight:
278.7341
IUPAC Name:
tert-butyl N-(4-chloroquinolin-6-yl)carbamate
InChI:
InChI=1S/C14H15ClN2O2/c1-14(2,3)19-13(18)17-9-4-5-12-10(8-9)11(15)6-7-16-12/h4-8H,1-3H3,(H,17,18)
InChI Key:
AGPTVTZQAGQHLL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)c(Cl)ccn2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.736g/mol
Monoisotopic Mass:
278.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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