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1333108-98-7 | Morpholine, 4-(4,6-dichloro-2-pyrimidinyl)-3-methyl-, (3S)-
CAS No: 1333108-98-7 Catalog No: AG0014LA MDL No:
Product Description
Catalog Number:
AG0014LA
Chemical Name:
Morpholine, 4-(4,6-dichloro-2-pyrimidinyl)-3-methyl-, (3S)-
CAS Number:
1333108-98-7
Molecular Formula:
C9H11Cl2N3O
Molecular Weight:
248.1091
IUPAC Name:
(3S)-4-(4,6-dichloropyrimidin-2-yl)-3-methylmorpholine
InChI:
InChI=1S/C9H11Cl2N3O/c1-6-5-15-3-2-14(6)9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChI Key:
HMLLFDAFTXWPNN-LURJTMIESA-N
SMILES:
C[C@H]1COCCN1c1nc(Cl)cc(n1)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.107g/mol
Monoisotopic Mass:
247.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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