7-Chloro-4-methyl-2H-1,4-benzoxazin-3-one - CAS 1508393-11-0
Catalog: |
BB070300 |
Product Name: |
7-Chloro-4-methyl-2H-1,4-benzoxazin-3-one |
CAS: |
1508393-11-0 |
Synonyms: |
7-Chloro-4-methyl-2H-1,4-benzoxazin-3-one; 7-chloro-4-methyl-1,4-benzoxazin-3-one; 7-chloro-4-methyl-2h-benzo[b][1,4]oxazin-3(4h)-one |
IUPAC Name: | 7-chloro-4-methyl-1,4-benzoxazin-3-one |
Description: | 7-Chloro-4-methyl-2H-1,4-benzoxazin-3-one |
Molecular Weight: | 197.62 |
Molecular Formula: | C9H8ClNO2 |
Canonical SMILES: | CN1C(=O)COC2=C1C=CC(=C2)Cl |
InChI: | InChI=1S/C9H8ClNO2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5H2,1H3 |
InChI Key: | MWJQKDMTYNAQDK-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0243562 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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