CAS
99688-46-7 Purity
96%
99688-46-7 Purity
96%
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1-(4-Trifluoromethylphenyl)-2-nitroethylene
CAS
99696-01-2
Catalog Number
ACM99696012
Category
Other Products
Molecular Weight
217.14
Molecular Formula
C9H6F3NO2
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What is the molecular formula of the compound?
The molecular formula is C9H6F3NO2.
What is the molecular weight of the compound?
The molecular weight is 217.14 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene.
What is the InChI of the compound?
The InChI is InChI=1S/C9H6F3NO2/c10-9(11,12)8-3-1-7(2-4-8)5-6-13(14)15/h1-6H/b6-5+.
What is the InChIKey of the compound?
The InChIKey is CATQYSSYYQMLHV-AATRIKPKSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC(=CC=C1C=C[N+](=O)[O-])C(F)(F)F.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 45.8 ?2.
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CAS
99688-51-4 Purity
96%
99688-51-4 Purity
96%
