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139502-01-5 | Morpholine, 4-(5-bromo-2-chloro-4-pyrimidinyl)-
CAS No: 139502-01-5 Catalog No: AG001B5E MDL No:MFCD03671470
Product Description
Catalog Number:
AG001B5E
Chemical Name:
Morpholine, 4-(5-bromo-2-chloro-4-pyrimidinyl)-
CAS Number:
139502-01-5
Molecular Formula:
C8H9BrClN3O
Molecular Weight:
278.5336
MDL Number:
MFCD03671470
IUPAC Name:
4-(5-bromo-2-chloropyrimidin-4-yl)morpholine
InChI:
InChI=1S/C8H9BrClN3O/c9-6-5-11-8(10)12-7(6)13-1-3-14-4-2-13/h5H,1-4H2
InChI Key:
QSJHIFOKLBHDEH-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1N1CCOCC1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.962g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.534g/mol
Monoisotopic Mass:
276.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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