Cas no 478180-28-8 (5-Pyrimidinecarboxaldehyde, 2,4,6-trichloro-, oxime)
478180-28-8 structure
Product Name:5-Pyrimidinecarboxaldehyde, 2,4,6-trichloro-, oxime
CAS No:478180-28-8
MF:C5H2Cl3N3O
MW:226.447877407074
CID:3996486
PubChem ID:119091000
Update Time:2025-04-22
5-Pyrimidinecarboxaldehyde, 2,4,6-trichloro-, oxime Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxaldehyde, 2,4,6-trichloro-, oxime
- (E)-2,4,6-Trichloropyrimidine-5-carbaldehyde oxime
- (E)-2,4,6-Trichloropyrimidine-5-carbaldehydeoxime
- 478180-28-8
-
- Inchi： 1S/C5H2Cl3N3O/c6-3-2(1-9-12)4(7)11-5(8)10-3/h1,12H
- InChI Key： PDCZSIXGSITVMN-UHFFFAOYSA-N
- SMILES： C1(Cl)=NC(Cl)=C(C=NO)C(Cl)=N1
Computed Properties
- Exact Mass: 224.926345Da
- Monoisotopic Mass: 224.926345Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 58.4?2
5-Pyrimidinecarboxaldehyde, 2,4,6-trichloro-, oxime Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
478180-28-8 (5-Pyrimidinecarboxaldehyde, 2,4,6-trichloro-, oxime) Related Products
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