CAS
928-04-1 Purity
98+%
928-04-1 Purity
98+%
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4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime
CAS
928064-05-5
Catalog Number
ACM928064055
Category
Other Products
Molecular Weight
207.125
Molecular Formula
C8H5F4NO
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Specification
Synonyms
KB-88183, 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime, 928064-05-5
IUPAC Name
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]hydroxylamine
Canonical SMILES
C1=CC(=C(C=C1C=NO)C(F)(F)F)F
InChI Key
ALVPYOMTFBJWKK-UHFFFAOYSA-N
Exact Mass
207.03100
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The molecular formula is C8H5F4NO.
What is the molecular weight of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The molecular weight is 207.12 g/mol.
What is the IUPAC name of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The IUPAC name is (NE)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]hydroxylamine.
What is the InChI of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The InChI is InChI=1S/C8H5F4NO/c9-7-2-1-5(4-13-14)3-6(7)8(10,11)12/h1-4,14H/b13-4+.
What is the InChIKey of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The InChIKey is ALVPYOMTFBJWKK-YIXHJXPBSA-N.
What is the canonical SMILES of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The canonical SMILES is C1=CC(=C(C=C1C=NO)C(F)(F)F)F.
What is the isomeric SMILES of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The isomeric SMILES is C1=CC(=C(C=C1/C=N/O)C(F)(F)F)F.
What is the XLogP3-AA value of 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor counts does 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime have?
It has 1 hydrogen bond donor count.
How many rotatable bond counts does 4-Fluoro-3-(trifluoromethyl)benzaldehyde oxime have?
It has 1 rotatable bond count.
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