Cas no 1075756-61-4 (Morpholine, 4-(2,6-dichloro-5-fluoro-4-pyrimidinyl)-)
1075756-61-4 structure
Product Name:Morpholine, 4-(2,6-dichloro-5-fluoro-4-pyrimidinyl)-
CAS No:1075756-61-4
MF:C8H8Cl2FN3O
MW:252.073022842407
CID:2142619
Update Time:2023-11-19
Morpholine, 4-(2,6-dichloro-5-fluoro-4-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine
- BEEVFQMKUBLZAW-UHFFFAOYSA-N
- CID 86644126
- Morpholine, 4-(2,6-dichloro-5-fluoro-4-pyrimidinyl)-
-
- Inchi： 1S/C8H8Cl2FN3O/c9-6-5(11)7(13-8(10)12-6)14-1-3-15-4-2-14/h1-4H2
- InChI Key： BEEVFQMKUBLZAW-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(=N1)Cl)N1CCOCC1)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 218
- Topological Polar Surface Area: 38.2
Experimental Properties
- Density: 1.506±0.06 g/cm3(Predicted)
- Boiling Point: 392.7±42.0 °C(Predicted)
- pka: -1.09±0.48(Predicted)
Morpholine, 4-(2,6-dichloro-5-fluoro-4-pyrimidinyl)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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