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1333109-00-4 | Morpholine, 4-(2-chloro-4-pyrimidinyl)-3-methyl-, (3S)-
CAS No: 1333109-00-4 Catalog No: AG0014L9 MDL No:
Product Description
Catalog Number:
AG0014L9
Chemical Name:
Morpholine, 4-(2-chloro-4-pyrimidinyl)-3-methyl-, (3S)-
CAS Number:
1333109-00-4
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
IUPAC Name:
(3S)-4-(2-chloropyrimidin-4-yl)-3-methylmorpholine
InChI:
InChI=1S/C9H12ClN3O/c1-7-6-14-5-4-13(7)8-2-3-11-9(10)12-8/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChI Key:
NOKWPLSCENSNSZ-ZETCQYMHSA-N
SMILES:
C[C@H]1COCCN1c1ccnc(n1)Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.665g/mol
Monoisotopic Mass:
213.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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