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Home > Pyridines > 187163-71-9
187163-71-9 | tert-butyl (5-cyano-6-methylpyridin-2(1H)-ylidene)carbamate
CAS No: 187163-71-9 Catalog No: AG01DKHZ MDL No:MFCD08274698
Product Description
Catalog Number:
AG01DKHZ
Chemical Name:
tert-butyl (5-cyano-6-methylpyridin-2(1H)-ylidene)carbamate
CAS Number:
187163-71-9
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD08274698
IUPAC Name:
tert-butyl N-(5-cyano-6-methylpyridin-2-yl)carbamate
InChI:
InChI=1S/C12H15N3O2/c1-8-9(7-13)5-6-10(14-8)15-11(16)17-12(2,3)4/h5-6H,1-4H3,(H,14,15,16)
InChI Key:
YQXDVAWQTLDPFF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(=NC(=O)OC(C)(C)C)[nH]c1C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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