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872706-96-2

872706-96-2 | Acetamide, 2-(acetyloxy)-N-[4-(chloromethyl)-2-pyridinyl]-

CAS No: 872706-96-2 Catalog No: AG004LTC MDL No:

Product Description

Catalog Number:
AG004LTC
Chemical Name:
Acetamide, 2-(acetyloxy)-N-[4-(chloromethyl)-2-pyridinyl]-
CAS Number:
872706-96-2
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
IUPAC Name:
[2-[[4-(chloromethyl)pyridin-2-yl]amino]-2-oxoethyl] acetate
InChI:
InChI=1S/C10H11ClN2O3/c1-7(14)16-6-10(15)13-9-4-8(5-11)2-3-12-9/h2-4H,5-6H2,1H3,(H,12,13,15)
InChI Key:
BYXOSLSXDSKFFQ-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(=O)Nc1cc(CCl)ccn1

Properties

Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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