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827342-86-9 | Carbamic acid, (6-chloro-1-oxido-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 827342-86-9 Catalog No: AG004UUS MDL No:
Product Description
Catalog Number:
AG004UUS
Chemical Name:
Carbamic acid, (6-chloro-1-oxido-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
827342-86-9
Molecular Formula:
C10H13ClN2O3
Molecular Weight:
244.6748
IUPAC Name:
tert-butyl N-(6-chloro-1-hydroxypyridin-2-ylidene)carbamate
InChI:
InChI=1S/C10H13ClN2O3/c1-10(2,3)16-9(14)12-8-6-4-5-7(11)13(8)15/h4-6,15H,1-3H3
InChI Key:
YUAYQEQREQYNPO-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc([n+]1[O-])Cl)OC(C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.675g/mol
Monoisotopic Mass:
244.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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