CAS
94800-92-7 Purity
96%
94800-92-7 Purity
96%
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2-Chloro-2-fluoro-2-phenylacetonitrile
CAS
948014-31-1
Catalog Number
ACM948014311
Category
Other Products
Molecular Weight
169.583
Molecular Formula
C8H5ClFN
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Specification
Synonyms
2-Chloro-2-fluoro-2-phenylacetonitrile, SureCN10891664, CTK7C5257, MolPort-001-776-750, PC7151, SBB088336, AKOS006344292, AG-A-39147, 2-chloro-2-fluoro-2-phenylethanenitrile, KB-88321, 948014-31-1
IUPAC Name
2-chloro-2-fluoro-2-phenylacetonitrile
Canonical SMILES
C1=CC=C(C=C1)C(C#N)(F)Cl
InChI Key
AJTCKIAIYHDWLF-UHFFFAOYSA-N
Exact Mass
169.00900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Chloro-2-fluoro-2-phenylacetonitrile?
The molecular formula of 2-Chloro-2-fluoro-2-phenylacetonitrile is C8H5ClFN.
What is the molecular weight of 2-Chloro-2-fluoro-2-phenylacetonitrile?
The molecular weight of 2-Chloro-2-fluoro-2-phenylacetonitrile is 169.58 g/mol.
What is the IUPAC Name of 2-Chloro-2-fluoro-2-phenylacetonitrile?
The IUPAC Name of 2-Chloro-2-fluoro-2-phenylacetonitrile is 2-chloro-2-fluoro-2-phenylacetonitrile.
What is the InChIKey of 2-Chloro-2-fluoro-2-phenylacetonitrile?
The InChIKey of 2-Chloro-2-fluoro-2-phenylacetonitrile is AJTCKIAIYHDWLF-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Chloro-2-fluoro-2-phenylacetonitrile?
The Canonical SMILES of 2-Chloro-2-fluoro-2-phenylacetonitrile is C1=CC=C(C=C1)C(C#N)(F)Cl.
What is the XLogP3-AA value of 2-Chloro-2-fluoro-2-phenylacetonitrile?
The XLogP3-AA value of 2-Chloro-2-fluoro-2-phenylacetonitrile is 2.6.
How many hydrogen bond acceptors are there in 2-Chloro-2-fluoro-2-phenylacetonitrile?
There are 2 hydrogen bond acceptors in 2-Chloro-2-fluoro-2-phenylacetonitrile.
What is the exact mass of 2-Chloro-2-fluoro-2-phenylacetonitrile?
The exact mass of 2-Chloro-2-fluoro-2-phenylacetonitrile is 169.0094550 g/mol.
How many heavy atoms are there in the structure of 2-Chloro-2-fluoro-2-phenylacetonitrile?
There are 11 heavy atoms in the structure of 2-Chloro-2-fluoro-2-phenylacetonitrile.
Is 2-Chloro-2-fluoro-2-phenylacetonitrile a canonicalized compound according to PubChem?
Yes, 2-Chloro-2-fluoro-2-phenylacetonitrile is a canonicalized compound according to PubChem.
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