N-Boc-4-iodo-2-methylaniline - CAS 666746-27-6
Catalog: |
BB033079 |
Product Name: |
N-Boc-4-iodo-2-methylaniline |
CAS: |
666746-27-6 |
Synonyms: |
N-(4-iodo-2-methylphenyl)carbamic acid tert-butyl ester; tert-butyl N-(4-iodo-2-methylphenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-iodo-2-methylphenyl)carbamate |
Description: | N-Boc-4-iodo-2-methylaniline (CAS# 666746-27-6) is a useful research chemical. |
Molecular Weight: | 333.17 |
Molecular Formula: | C12H16INO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)I)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H16INO2/c1-8-7-9(13)5-6-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15) |
InChI Key: | MWSFDHVVTSPHOF-UHFFFAOYSA-N |
Boiling Point: | 310.6 ℃ at 760 mmHg |
Density: | 1.536 g/cm3 |
LogP: | 4.01960 |
Publication Number | Title | Priority Date |
WO-2021050547-A1 | Mitochondrial complex i inhibitors and methods of use | 20190910 |
WO-2018103239-A1 | Preparation method for velpatasvir intermediate and analogue thereof | 20161205 |
CN-108147972-B | Preparation method of vipatavir intermediate and analogue thereof | 20161205 |
WO-2017031050-A1 | Molecularly tunable heterogeneous catalysts by edge functionalization of graphitic carbons | 20150814 |
CA-2825134-A1 | Indole derivative, and pharmacologically acceptable salt thereof | 20110125 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.02258 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.02258 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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