4-Bromo-N-(2-hydroxy-1,1-dimethylethyl)-α,α-dimethylbenzeneacetamide - CAS 361382-25-4
Catalog: |
BB055398 |
Product Name: |
4-Bromo-N-(2-hydroxy-1,1-dimethylethyl)-α,α-dimethylbenzeneacetamide |
CAS: |
361382-25-4 |
Synonyms: |
4-Bromo-N-(2-hydroxy-1,1-dimethylethyl)-|A,|A-dimethylbenzeneacetamide |
IUPAC Name: | 2-(4-bromophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide |
Molecular Weight: | 314.22 |
Molecular Formula: | C14H20BrNO2 |
Canonical SMILES: | CC(C)(CO)NC(=O)C(C)(C)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C14H20BrNO2/c1-13(2,9-17)16-12(18)14(3,4)10-5-7-11(15)8-6-10/h5-8,17H,9H2,1-4H3,(H,16,18) |
InChI Key: | PHBAMEGAJDAQHX-UHFFFAOYSA-N |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.06774 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.06774 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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