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Home > Pyridines > 1394040-23-3
1394040-23-3 | 2-(tert-butoxy)-6-(2-isocyanatoethyl)pyridine
CAS No: 1394040-23-3 Catalog No: AG019ZP3 MDL No:MFCD22375287
Product Description
Catalog Number:
AG019ZP3
Chemical Name:
2-(tert-butoxy)-6-(2-isocyanatoethyl)pyridine
CAS Number:
1394040-23-3
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD22375287
IUPAC Name:
2-(2-isocyanatoethyl)-6-[(2-methylpropan-2-yl)oxy]pyridine
InChI:
InChI=1S/C12H16N2O2/c1-12(2,3)16-11-6-4-5-10(14-11)7-8-13-9-15/h4-6H,7-8H2,1-3H3
InChI Key:
AWBBZPMKCVJVLL-UHFFFAOYSA-N
SMILES:
O=C=NCCc1cccc(n1)OC(C)(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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