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Home > Pyridines > 116799-19-0
116799-19-0 | Carbamic acid, N-(3-cyano-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 116799-19-0 Catalog No: AG000D7T MDL No:
Product Description
Catalog Number:
AG000D7T
Chemical Name:
Carbamic acid, N-(3-cyano-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
116799-19-0
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
tert-butyl N-(3-cyanopyridin-2-yl)carbamate
InChI:
InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-8(7-12)5-4-6-13-9/h4-6H,1-3H3,(H,13,14,15)
InChI Key:
RFHQQCPMIZEBHT-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1NC(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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