CAS
90430-14-1 Purity
98+%
90430-14-1 Purity
98+%
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4-(4-(Trifluoromethyl)pyrimidin-2-yl)benzoic acid
CAS
904310-23-2
Catalog Number
ACM904310232
Category
Other Products
Molecular Weight
268.1
Molecular Formula
C12H7F3N2O2
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Specification
Synonyms
4-(4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)BENZOIC ACID, 904310-23-2, SureCN4172326, CTK5G7867, AG-H-70921, KB-238060
IUPAC Name
4-[4-(trifluoromethyl)pyrimidin-2-yl]benzoic acid
InChI Key
QGGFOOKKCCDNGZ-UHFFFAOYSA-N
Exact Mass
268.04600
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 53426271?
The molecular formula is C12H7F3N2O2.
What is the molecular weight of the compound?
The molecular weight is 268.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[4-(trifluoromethyl)pyrimidin-2-yl]benzoic acid.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC(=CC=C1C2=NC=CC(=N2)C(F)(F)F)C(=O)O.
What is the InChIKey of the compound?
The InChIKey is QGGFOOKKCCDNGZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 63.1 ².
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified?
The compound was last modified on December 30, 2023.
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