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Home > Pyridines > 1260826-49-0
1260826-49-0 | Carbamic acid, N-(4-cyano-2-pyridinyl)-, phenylmethyl ester
CAS No: 1260826-49-0 Catalog No: AG000RE9 MDL No:
Product Description
Catalog Number:
AG000RE9
Chemical Name:
Carbamic acid, N-(4-cyano-2-pyridinyl)-, phenylmethyl ester
CAS Number:
1260826-49-0
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
benzyl N-(4-cyanopyridin-2-yl)carbamate
InChI:
InChI=1S/C14H11N3O2/c15-9-12-6-7-16-13(8-12)17-14(18)19-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,16,17,18)
InChI Key:
KFGUKPWUQFAVQR-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)NC(=O)OCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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