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20401-33-6

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Basic Information
CAS No.: 20401-33-6
Name: 2,4,6-TRICHLORO-5-(2-ACETIC ACID) PYRIMIDINE
Molecular Structure:
Molecular Structure of 20401-33-6 (2,4,6-TRICHLORO-5-(2-ACETIC ACID) PYRIMIDINE)
Formula: C6H3Cl3N2O2
Molecular Weight: 241.46
Synonyms: 2,4,6-TRICHLORO-5-(2-ACETIC ACID) PYRIMIDINE;5-PyriMidineacetic acid, 2,4,6-trichloro-
PSA: 63.08000
LogP: 2.06390
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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