4-Chloro-1,3,5-triazine-2-carboxylic Acid - CAS 1550823-05-6
Catalog: |
BB011082 |
Product Name: |
4-Chloro-1,3,5-triazine-2-carboxylic Acid |
CAS: |
1550823-05-6 |
Synonyms: |
4-chloro-1,3,5-triazine-2-carboxylic acid; 4-chloro-1,3,5-triazine-2-carboxylic acid |
IUPAC Name: | 4-chloro-1,3,5-triazine-2-carboxylic acid |
Description: | 4-Chloro-1,3,5-triazine-2-carboxylic Acid (CAS# 1550823-05-6 ) is a useful research chemical. |
Molecular Weight: | 159.53 |
Molecular Formula: | C4H2ClN3O2 |
Canonical SMILES: | C1=NC(=NC(=N1)Cl)C(=O)O |
InChI: | InChI=1S/C4H2ClN3O2/c5-4-7-1-6-2(8-4)3(9)10/h1H,(H,9,10) |
InChI Key: | MTWSWQNYNXCRMJ-UHFFFAOYSA-N |
LogP: | 0.22320 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.983554 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.983554 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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