5-Chloro-2-methyl-6-nitrobenzothiazole - CAS 5264-77-7
Catalog: |
BB027893 |
Product Name: |
5-Chloro-2-methyl-6-nitrobenzothiazole |
CAS: |
5264-77-7 |
Synonyms: |
5-chloro-2-methyl-6-nitro-1,3-benzothiazole; 5-chloro-2-methyl-6-nitro-1,3-benzothiazole |
IUPAC Name: | 5-chloro-2-methyl-6-nitro-1,3-benzothiazole |
Description: | 5-Chloro-2-methyl-6-nitrobenzothiazole (CAS# 5264-77-7) is a useful research chemical. |
Molecular Weight: | 228.66 |
Molecular Formula: | C8H5ClN2O2S |
Canonical SMILES: | CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C8H5ClN2O2S/c1-4-10-6-2-5(9)7(11(12)13)3-8(6)14-4/h2-3H,1H3 |
InChI Key: | HCIFTTCECGSAPA-UHFFFAOYSA-N |
LogP: | 3.68950 |
Publication Number | Title | Priority Date |
CN-105753730-A | Method for preparing 2-amino-4-chloro-5-nitrophenol | 20160406 |
AU-2006258599-A1 | 1, 2-di(cyclic group)substituted benzene derivative | 20050614 |
BR-PI0611635-A2 | benzene derivative 1,2-di (cyclic) substituted | 20050614 |
CA-2607054-A1 | 1, 2-di(cyclic group)substituted benzene derivative | 20050614 |
CN-101175723-A | 1,2-di(cyclic) substituted benzene compounds | 20050614 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9760263 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9760263 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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