4-Bromo-N-tert-butyl-2-chlorobenzamide - CAS 1458481-93-0
Catalog: |
BB072084 |
Product Name: |
4-Bromo-N-tert-butyl-2-chlorobenzamide |
CAS: |
1458481-93-0 |
Synonyms: |
4-bromo-N-tert-butyl-2-chlorobenzamide |
IUPAC Name: | 4-bromo-N-tert-butyl-2-chlorobenzamide |
Description: | 4-Bromo-N-tert-butyl-2-chlorobenzamide |
Molecular Weight: | 290.58 |
Molecular Formula: | C11H13BrClNO |
Canonical SMILES: | CC(C)(C)NC(=O)C1=C(C=C(C=C1)Br)Cl |
InChI: | InChI=1S/C11H13BrClNO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15) |
InChI Key: | OFXSAIBJUHEQCH-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.9869 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.9869 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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