N-Boc-4-iodo-2-nitroaniline - CAS 335254-69-8
Catalog: |
BB021754 |
Product Name: |
N-Boc-4-iodo-2-nitroaniline |
CAS: |
335254-69-8 |
Synonyms: |
N-(4-iodo-2-nitrophenyl)carbamic acid tert-butyl ester; tert-butyl N-(4-iodo-2-nitrophenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-iodo-2-nitrophenyl)carbamate |
Description: | N-Boc-4-iodo-2-nitroaniline (CAS# 335254-69-8 ) is a useful research chemical. |
Molecular Weight: | 364.14 |
Molecular Formula: | C11H13IN2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)I)[N+](=O)[O-] |
InChI: | InChI=1S/C11H13IN2O4/c1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15) |
InChI Key: | YJHGAFUPACBMDJ-UHFFFAOYSA-N |
LogP: | 4.08320 |
Publication Number | Title | Priority Date |
CA-2847247-A1 | Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof | 20110829 |
CA-2847247-C | Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof | 20110829 |
EP-2751095-A2 | Novel benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof | 20110829 |
US-2015025064-A1 | Novel benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof | 20110829 |
US-9193710-B2 | Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof | 20110829 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.992 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.992 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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Amines and Anilines
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