1-Boc-4-iodopyrazole - CAS 121669-70-3
Catalog: |
BB005237 |
Product Name: |
1-Boc-4-iodopyrazole |
CAS: |
121669-70-3 |
Synonyms: |
4-iodo-1-pyrazolecarboxylic acid tert-butyl ester; tert-butyl 4-iodopyrazole-1-carboxylate |
IUPAC Name: | tert-butyl 4-iodopyrazole-1-carboxylate |
Description: | 1-Boc-4-iodopyrazole (CAS# 121669-70-3) is a useful research chemical. |
Molecular Weight: | 294.09 |
Molecular Formula: | C8H11IN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C=N1)I |
InChI: | InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3 |
InChI Key: | WRCRIGRVTPLDDD-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD05663855 |
LogP: | 2.27090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111909090-A | Compound containing abundant alkynyl, preparation method thereof and metal organic framework material | 20200826 |
CN-110698506-A | Synthesis method of pyrazole-4-boronic acid pinacol ester | 20191127 |
US-2020188370-A1 | Alk5 inhibitors | 20181211 |
WO-2020123453-A2 | Alk5 inhibitors | 20181211 |
TW-202039459-A | Alk5 inhibitors | 20181211 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.98653 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.98653 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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