4-Chloro-6-methyl-2H-chromen-2-one - CAS 51069-75-1
Catalog: |
BB027315 |
Product Name: |
4-Chloro-6-methyl-2H-chromen-2-one |
CAS: |
51069-75-1 |
Synonyms: |
4-chloro-6-methyl-1-benzopyran-2-one; 4-chloro-6-methylchromen-2-one |
IUPAC Name: | 4-chloro-6-methylchromen-2-one |
Description: | 4-Chloro-6-methyl-2H-chromen-2-one (CAS# 51069-75-1 ) is a useful research chemical. |
Molecular Weight: | 194.61 |
Molecular Formula: | C10H7ClO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)OC(=O)C=C2Cl |
InChI: | InChI=1S/C10H7ClO2/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3 |
InChI Key: | GTUCZSVDWDNQHV-UHFFFAOYSA-N |
LogP: | 2.75480 |
Publication Number | Title | Priority Date |
EP-1671962-A1 | Novel fused heterocyclic compound and use thereof | 20031010 |
JP-WO2005035516-A1 | Novel fused heterocyclic compounds and uses thereof | 20031010 |
US-2007060595-A1 | Novel fused heterocyclic compound and use thereof | 20031010 |
WO-2005035516-A1 | Novel fused heterocyclic compound and use thereof | 20031010 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0134572 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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