CAS
91828-95-4 Purity
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91828-95-4 Purity
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4-Bromo-3-(trifluoromethyl)-1H-pyrazole
CAS
918339-68-1
Catalog Number
ACM918339681
Category
Other Products
Molecular Weight
214.97
Molecular Formula
C4H2BrF3N2
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Specification
Synonyms
4-bromo-3-(trifluoromethyl)-1H-pyrazole, 19968-17-3, 4-Bromo-3-trifluoromethyl-1H-pyrazole, AG-E-46038, 918339-68-1, 4-bromo-5-(trifluoromethyl)-1H-pyrazole, ST058331, 4-bromo-3-(trifluoromethyl)pyrazole, ZINC04243643, AC1OGE2V, ACMC-209f4m, SureCN1359769, SureCN1674089, CTK3H7940, CTK4E2862, MolPort-000-160-997, ALBB-003666, ANW-23876, SBB021856, STK349512
IUPAC Name
4-bromo-5-(trifluoromethyl)-1H-pyrazole
Canonical SMILES
C1=NNC(=C1Br)C(F)(F)F
InChI Key
JTHNMRUVJDWVMJ-UHFFFAOYSA-N
Boiling Point
235.3±35.0 °C (760 mmHg)
Melting Point
108 °C
Density
1.942±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
213.93500
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole is C4H2BrF3N2.
When was 4-Bromo-3-(trifluoromethyl)-1H-pyrazole first created?
4-Bromo-3-(trifluoromethyl)-1H-pyrazole was first created in 2006.
What is the IUPAC name of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole is 4-bromo-5-(trifluoromethyl)-1H-pyrazole.
What is the InChIKey of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole is JTHNMRUVJDWVMJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 4-Bromo-3-(trifluoromethyl)-1H-pyrazole have?
4-Bromo-3-(trifluoromethyl)-1H-pyrazole has 1 hydrogen bond donor count.
What is the topological polar surface area of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole?
The topological polar surface area of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole is 28.7 ?².
How many heavy atoms are present in 4-Bromo-3-(trifluoromethyl)-1H-pyrazole?
There are 10 heavy atoms present in 4-Bromo-3-(trifluoromethyl)-1H-pyrazole.
Is 4-Bromo-3-(trifluoromethyl)-1H-pyrazole a canonicalized compound?
Yes, 4-Bromo-3-(trifluoromethyl)-1H-pyrazole is a canonicalized compound.
What is the exact mass of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole?
The exact mass of 4-Bromo-3-(trifluoromethyl)-1H-pyrazole is 213.93535 g/mol.
How many rotatable bond counts does 4-Bromo-3-(trifluoromethyl)-1H-pyrazole have?
4-Bromo-3-(trifluoromethyl)-1H-pyrazole has 0 rotatable bond counts.
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