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1160827-82-6 | Carbamic acid, N-[6-chloro-3-(1-oxopropyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1160827-82-6 Catalog No: AG000BKJ MDL No:
Product Description
Catalog Number:
AG000BKJ
Chemical Name:
Carbamic acid, N-[6-chloro-3-(1-oxopropyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1160827-82-6
Molecular Formula:
C13H17ClN2O3
Molecular Weight:
284.7387
IUPAC Name:
tert-butyl N-(6-chloro-3-propanoylpyridin-2-yl)carbamate
InChI:
InChI=1S/C13H17ClN2O3/c1-5-9(17)8-6-7-10(14)15-11(8)16-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,15,16,18)
InChI Key:
NZNGJLNEARYYQS-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(nc1NC(=O)OC(C)(C)C)Cl
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.74g/mol
Monoisotopic Mass:
284.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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