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Home > Pyridines > 1142191-86-3
1142191-86-3 | Carbamic acid, N-[(4-cyano-5-methoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1142191-86-3 Catalog No: AG000AUQ MDL No:MFCD11857716
Product Description
Catalog Number:
AG000AUQ
Chemical Name:
Carbamic acid, N-[(4-cyano-5-methoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1142191-86-3
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
MDL Number:
MFCD11857716
IUPAC Name:
tert-butyl N-[(4-cyano-5-methoxypyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C13H17N3O3/c1-13(2,3)19-12(17)16-7-9-6-15-8-11(18-4)10(9)5-14/h6,8H,7H2,1-4H3,(H,16,17)
InChI Key:
PHLFHKVFFSCAMM-UHFFFAOYSA-N
SMILES:
N#Cc1c(cncc1OC)CNC(=O)OC(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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