2-Methanesulfonylpyrimidine-4-carboxylic acid - CAS 1370411-46-3
Catalog: |
BB060216 |
Product Name: |
2-Methanesulfonylpyrimidine-4-carboxylic acid |
CAS: |
1370411-46-3 |
Synonyms: |
2-(Methylsulfonyl)pyrimidine-4-carboxylic acid; 2-Methanesulfonylpyrimidine-4-carboxylic acid; 2-methylsulfonylpyrimidine-4-carboxylic acid; 2-(methylsulfonyl)-4-Pyrimidinecarboxylic acid; 2-(Methanesulfonyl)pyrimidine-4-carboxylic acid |
IUPAC Name: | 2-methylsulfonylpyrimidine-4-carboxylic acid |
Description: | 2-Methanesulfonylpyrimidine-4-carboxylic acid |
Molecular Weight: | 202.19 |
Molecular Formula: | C6H6N2O4S |
Canonical SMILES: | CS(=O)(=O)C1=NC=CC(=N1)C(=O)O |
InChI: | InChI=1S/C6H6N2O4S/c1-13(11,12)6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10) |
InChI Key: | WSXZNFILTBDHHA-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-200940535-A | Novel pyrimidine-pyridine derivatives | 20080306 |
ES-2449749-T3 | New pyrimidine derivatives | 20071101 |
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Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.00482785 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.00482785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 106Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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