CAS
944902-64-1 Purity
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944902-64-1 Purity
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![Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid,2-(aminomethyl)-5,8-dihydro-,1,1-dimethylethyl ester](https://resource.alfa-chemistry.com/structure/944903-77-9.gif)
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4-(Trifluoromethyl)-2-pyrimidineacetic acid
CAS
944903-22-4
Catalog Number
ACM944903224
Category
Other Products
Molecular Weight
206.122010 [g/mol]
Molecular Formula
C7H5F3N2O2
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Specification
Synonyms
AB59186, 4-(TRIFLUOROMETHYL)-2-PYRIMIDINEACETIC ACID, 4-(TRIFLUOROMETHYL)PYRIMIDINE-2-ACETIC ACID, [4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]ACETIC ACID, 2-(4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)ACETIC ACID, 944903-22-4
IUPAC Name
2-[4-(trifluoromethyl)pyrimidin-2-yl]acetic acid
InChI Key
KFFBLPFVZVMTNV-UHFFFAOYSA-N
Exact Mass
206.03000
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
The molecular formula is C7H5F3N2O2.
What is the molecular weight of 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
The molecular weight is 206.12 g/mol.
What is the IUPAC name of 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
The IUPAC name is 2-[4-(trifluoromethyl)pyrimidin-2-yl]acetic acid.
What is the InChI of 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
The InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-11-5(12-4)3-6(13)14/h1-2H,3H2,(H,13,14).
What is the InChIKey of 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
The InChIKey is KFFBLPFVZVMTNV-UHFFFAOYSA-N.
What is the canonical SMILES of 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
The canonical SMILES is C1=CN=C(N=C1C(F)(F)F)CC(=O)O.
What is the XLogP3-AA value of 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
The XLogP3-AA value is 0.6.
How many hydrogen bond donor counts are there in 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
There are 7 hydrogen bond acceptor counts.
How many rotatable bond counts are there in 4-(Trifluoromethyl)-2-pyrimidineacetic acid?
There are 2 rotatable bond counts.
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