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1220038-29-8 | Pyrimidine, 4-chloro-6-(3-pyrrolidinylmethoxy)-, hydrochloride (1:1)
CAS No: 1220038-29-8 Catalog No: AG0016LA MDL No:MFCD13560701
Product Description
Catalog Number:
AG0016LA
Chemical Name:
Pyrimidine, 4-chloro-6-(3-pyrrolidinylmethoxy)-, hydrochloride (1:1)
CAS Number:
1220038-29-8
Molecular Formula:
C9H13Cl2N3O
Molecular Weight:
250.1250
MDL Number:
MFCD13560701
IUPAC Name:
4-chloro-6-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride
InChI:
InChI=1S/C9H12ClN3O.ClH/c10-8-3-9(13-6-12-8)14-5-7-1-2-11-4-7;/h3,6-7,11H,1-2,4-5H2;1H
InChI Key:
ZIEANXKKRDWOBY-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)OCC1CNCC1.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.123g/mol
Monoisotopic Mass:
249.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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