CAS
94133-60-5 Purity
96%
94133-60-5 Purity
96%
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2-[2-Amino-4-(trifluoromethyl)phenyl]-3-(2,4-dichlorophenyl)acrylic acid
CAS
94133-64-9
Catalog Number
ACM94133649
Category
Other Products
Molecular Weight
376.157310 [g/mol]
Molecular Formula
C16H10Cl2F3NO2
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Specification
Synonyms
EINECS 302-726-6, CID6366448, 2-(2-Amino-4-(trifluoromethyl)phenyl)-3-(2,4-dichlorophenyl)acrylic acid, 94133-64-9
IUPAC Name
(Z)-2-[2-amino-4-(trifluoromethyl)phenyl]-3-(2,4-dichlorophenyl)prop-2-enoic acid
InChI Key
HLPCUGIVUZTSQH-XGICHPGQSA-N
Boiling Point
449.1ºC at 760mmHg
Flash Point
225.4ºC
Density
1.524g/cm³
Exact Mass
375.00400
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound identified as PubChem CID 6366448?
The molecular formula is C16H10Cl2F3NO2.
When was this compound created and last modified in PubChem?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC Name of the compound?
The IUPAC name is (Z)-2-[2-amino-4-(trifluoromethyl)phenyl]-3-(2,4-dichlorophenyl)prop-2-enoic acid.
Can you provide the InChIKey of this compound?
The InChIKey is HLPCUGIVUZTSQH-XGICHPGQSA-N.
What is the Canonical SMILES of this compound?
The Canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)N)C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)O.
How many hydrogen bond donor counts are there in this compound?
There are 2 hydrogen bond donor counts.
What is the XLogP3-AA value of this compound?
The XLogP3-AA value is 5.
What is the topological polar surface area of this compound?
The topological polar surface area is 63.3 Å2.
How many rotatable bond counts are there in this compound?
There are 3 rotatable bond counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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