3,5-Dibromopyrazole - CAS 67460-86-0
Catalog: |
BB033283 |
Product Name: |
3,5-Dibromopyrazole |
CAS: |
67460-86-0 |
Synonyms: |
3,5-dibromo-1H-pyrazole; 3,5-dibromo-1H-pyrazole |
IUPAC Name: | 3,5-dibromo-1H-pyrazole |
Description: | 3,5-Dibromopyrazole (CAS# 67460-86-0) is a useful research chemical. |
Molecular Weight: | 225.87 |
Molecular Formula: | C3H2Br2N2 |
Canonical SMILES: | C1=C(NN=C1Br)Br |
InChI: | InChI=1S/C3H2Br2N2/c4-2-1-3(5)7-6-2/h1H,(H,6,7) |
InChI Key: | UQFIWKBFQXGMJD-UHFFFAOYSA-N |
LogP: | 1.93470 |
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 |
US-2021292320-A1 | Functionalized heterocyclic compounds as antiviral agents | 20200316 |
WO-2021188414-A1 | Functionalized heterocyclic compounds as antiviral agents | 20200316 |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021076835-A1 | Methods for the preparation of 5-bromo-2-(3chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid | 20191018 |
Complexity: | 68 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.85642 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.85847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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