6-Chloro-5-nitropyrimidine-2,4(1H,3H)-dione - CAS 6630-30-4
Catalog: |
BB032979 |
Product Name: |
6-Chloro-5-nitropyrimidine-2,4(1H,3H)-dione |
CAS: |
6630-30-4 |
Synonyms: |
6-chloro-5-nitro-1H-pyrimidine-2,4-dione; 6-chloro-5-nitro-1H-pyrimidine-2,4-dione |
IUPAC Name: | 6-chloro-5-nitro-1H-pyrimidine-2,4-dione |
Description: | 6-Chloro-5-nitropyrimidine-2,4(1H,3H)-dione (CAS# 6630-30-4) is a useful research chemical. |
Molecular Weight: | 191.53 |
Molecular Formula: | C4H2ClN3O4 |
Canonical SMILES: | C1(=C(NC(=O)NC1=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C4H2ClN3O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H2,6,7,9,10) |
InChI Key: | GPFMSTOIHBOPQA-UHFFFAOYSA-N |
Boiling Point: | 469.3 °C at 760 mmHg |
Density: | 1.85 g/cm3 |
LogP: | 0.97260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019058289-A1 | AGONISTS OF CELLS MAIT | 20170920 |
US-10414768-B2 | Compounds for treating cystic fibrosis | 20141205 |
US-2017362239-A1 | Compounds for treating cystic fibrosis | 20141205 |
AU-2019240599-A1 | Therapeutic benefit of suboptimally administered chemical compounds | 20130408 |
EP-2958919-A1 | Dihydropteridinones i | 20130221 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9733832 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9733832 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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