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737000-78-1 | tert-Butyl (4-cyanopyridin-2-yl);carbamate
CAS No: 737000-78-1 Catalog No: AG003EZP MDL No:MFCD03791311
Product Description
Catalog Number:
AG003EZP
Chemical Name:
tert-Butyl (4-cyanopyridin-2-yl);carbamate
CAS Number:
737000-78-1
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD03791311
IUPAC Name:
tert-butyl N-(4-cyanopyridin-2-yl)carbamate
InChI:
InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9/h4-6H,1-3H3,(H,13,14,15)
InChI Key:
YDQSFIWCKUKWEG-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)NC(=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:
1.5
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