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| Name |
5-Pyrimidineaceticacid, 2,4,6-trichloro- |
EINECS | N/A |
| CAS No. | 20401-33-6 | Density | N/A |
| PSA | 63.08000 | LogP | 2.06390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H3Cl3N2O2 | Boiling Point | N/A |
| Molecular Weight | 241.46 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,4,6-TRICHLORO-5-(2-ACETIC ACID) PYRIMIDINE;5-PyriMidineacetic acid, 2,4,6-trichloro- |
5-Pyrimidineaceticacid, 2,4,6-trichloro- Specification
The CAS registry number of 5-Pyrimidineaceticacid, 2,4,6-trichloro- is 20401-33-6. The molecular formula of it is C6H3Cl3N2O2 and molecular weight is 241.46. Its IUPAC name is called 2-(2,4,6-trichloropyrimidin-5-yl)acetate.
Properties Computed from Structure about this chemical are: (1)XLogP3-AA: 3.2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Exact Mass: 238.918185; (6)MonoIsotopic Mass: 238.918185; (7)Topological Polar Surface Area: 65.9; (8)Heavy Atom Count: 13; (9)Formal Charge: -1; (10)Complexity: 187; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C1=C(N=C(N=C1Cl)Cl)Cl)C(=O)[O-]
(2)InChI: InChI=1S/C6H3Cl3N2O2/c7-4-2(1-3(12)13)5(8)11-6(9)10-4/h1H2,(H,12,13)/p-1
(3)InChIKey: JLBBIHWKLIVGRP-UHFFFAOYSA-M
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