CAS
97759-90-5 Purity
96%
97759-90-5 Purity
96%
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4-Cyano-3-(trifluoromethyl)acetanilide
CAS
97760-99-1
Catalog Number
ACM97760991
Category
Other Products
Molecular Weight
228.17
Molecular Formula
C10H7F3N2O
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Specification
Synonyms
N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide, 97760-99-1, 4-cyano-3-(trifluoromethyl)acetanilide, ST51041449, n-(4-cyano-3-(trifluoromethyl)phenyl)acetamide, ZINC00074570, Maybridge3_004822, AC1MC68E, SureCN14289402, CTK7C8178, MolPort-000-153-738, HMS1444L04, 5-Acetamido-2-cyanobenzotrifluoride, CCG-1305, 4-cyano-3-trifluoromethylacetanilide, SBB097261, AKOS009159249, 4-Cyano-3-(trifluoromethyl)acetanilide, AG-C-17476, IDI1_016209
IUPAC Name
N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
Canonical SMILES
CC(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
InChI Key
FHKLGEQKLMMVCZ-UHFFFAOYSA-N
Boiling Point
381.4ºC at 760 mmHg
Melting Point
170ºC
Flash Point
184.5ºC
Density
1.34g/cm³
Exact Mass
228.05100
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
S26-S36
What is the molecular formula of 4-Cyano-3-(trifluoromethyl)acetanilide?
The molecular formula is C10H7F3N2O.
What is the molecular weight of 4-Cyano-3-(trifluoromethyl)acetanilide?
The molecular weight is 228.17 g/mol.
What is the IUPAC name of 4-Cyano-3-(trifluoromethyl)acetanilide?
The IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide.
What is the InChI of 4-Cyano-3-(trifluoromethyl)acetanilide?
The InChI is InChI=1S/C10H7F3N2O/c1-6(16)15-8-3-2-7(5-14)9(4-8)10(11,12)13/h2-4H,1H3,(H,15,16).
How many hydrogen bond donor counts does 4-Cyano-3-(trifluoromethyl)acetanilide have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 4-Cyano-3-(trifluoromethyl)acetanilide?
The topological polar surface area is 52.9 Ų.
Is 4-Cyano-3-(trifluoromethyl)acetanilide a canonicalized compound?
Yes, it is a canonicalized compound.
What is the CAS number for 4-Cyano-3-(trifluoromethyl)acetanilide?
The CAS number is 97760-99-1.
What is the XLogP3 value of 4-Cyano-3-(trifluoromethyl)acetanilide?
The XLogP3 value is 2.4.
How many covalently-bonded unit counts does 4-Cyano-3-(trifluoromethyl)acetanilide have?
It has 1 covalently-bonded unit count.
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