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1420816-14-3

1420816-14-3 | Pyrimidine, 5-chloro-2-(3-pyrrolidinyloxy)-, hydrochloride (1:1)

CAS No: 1420816-14-3 Catalog No: AG001HPQ MDL No:

Product Description

Catalog Number:
AG001HPQ
Chemical Name:
Pyrimidine, 5-chloro-2-(3-pyrrolidinyloxy)-, hydrochloride (1:1)
CAS Number:
1420816-14-3
Molecular Formula:
C8H11Cl2N3O
Molecular Weight:
236.0984
IUPAC Name:
5-chloro-2-pyrrolidin-3-yloxypyrimidine;hydrochloride
InChI:
InChI=1S/C8H10ClN3O.ClH/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7;/h3-4,7,10H,1-2,5H2;1H
InChI Key:
YKAHXMSFMGXSKI-UHFFFAOYSA-N
SMILES:
Clc1cnc(nc1)OC1CNCC1.Cl

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.096g/mol
Monoisotopic Mass:
235.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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