CAS
94988-51-1 Purity
96%
94988-51-1 Purity
96%
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Ethanone,2-chloro-1-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS
949898-81-1
Catalog Number
ACM949898811
Category
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What is the IUPAC name of the compound with PubChem CID 45117933?
The IUPAC name of the compound is 2-chloro-1-[2-nitro-4-(trifluoromethyl)phenyl]ethanone.
What is the molecular formula of the compound?
The molecular formula of the compound is C9H5ClF3NO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 267.59 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H5ClF3NO3/c10-4-8(15)6-2-1-5(9(11,12)13)3-7(6)14(16)17/h1-3H,4H2.
What is the InChIKey of the compound?
The InChIKey of the compound is WZJCPSMYAOZRHV-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation of the compound is C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)CCl.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 2.4.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor count.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond count.
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94994-15-7 Purity
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94994-15-7 Purity
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