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1261230-87-8 | 5-Fluoro-2-(3-methyl-piperazin-1-yl)-pyrimidine hydrochloride
CAS No: 1261230-87-8 Catalog No: AG01F6DW MDL No:
Product Description
Catalog Number:
AG01F6DW
Chemical Name:
5-Fluoro-2-(3-methyl-piperazin-1-yl)-pyrimidine hydrochloride
CAS Number:
1261230-87-8
Molecular Formula:
C9H14ClFN4
Molecular Weight:
232.6857
IUPAC Name:
5-fluoro-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
InChI:
InChI=1S/C9H13FN4.ClH/c1-7-6-14(3-2-11-7)9-12-4-8(10)5-13-9;/h4-5,7,11H,2-3,6H2,1H3;1H
InChI Key:
AVJDXZFUEQRHEA-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1ncc(cn1)F.Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.687g/mol
Monoisotopic Mass:
232.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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