2'-Bromo-5'-chloro-4'-methylacetanilide - CAS 116010-06-1
Catalog: |
BB003683 |
Product Name: |
2'-Bromo-5'-chloro-4'-methylacetanilide |
CAS: |
116010-06-1 |
Synonyms: |
N-(2-bromo-5-chloro-4-methylphenyl)acetamide; N-(2-bromo-5-chloro-4-methylphenyl)acetamide |
IUPAC Name: | N-(2-bromo-5-chloro-4-methylphenyl)acetamide |
Description: | 2'-Bromo-5'-chloro-4'-methylacetanilide (CAS# 116010-06-1) is a useful research chemical. |
Molecular Weight: | 262.53 |
Molecular Formula: | C9H9BrClNO |
Canonical SMILES: | CC1=CC(=C(C=C1Cl)NC(=O)C)Br |
InChI: | InChI=1S/C9H9BrClNO/c1-5-3-7(10)9(4-8(5)11)12-6(2)13/h3-4H,1-2H3,(H,12,13) |
InChI Key: | QIMHWSBYSKKYFR-UHFFFAOYSA-N |
LogP: | 4.01880 |
Publication Number | Title | Priority Date |
AU-2013253539-A1 | Benzamide derivative | 20120424 |
AU-2013253541-A1 | Quinazolinedione derivative | 20120424 |
CA-2871237-A1 | Benzamide derivative | 20120424 |
CA-2871453-A1 | Quinazolinedione derivative | 20120424 |
EP-2842939-A1 | Benzamide derivative | 20120424 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.9556 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.9556 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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