CAS
944904-66-9 Purity
96%
944904-66-9 Purity
96%
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5-(Trifluoromethyl)-2-pyrimidineacetic acid ethyl ester
CAS
944905-47-9
Catalog Number
ACM944905479
Category
Other Products
Molecular Weight
234.175170 [g/mol]
Molecular Formula
C9H9F3N2O2
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Specification
Synonyms
AB58625, ETHYL [5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]ACETATE, ETHYL 2-(5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)ACETATE, 5-(TRIFLUOROMETHYL)-2-PYRIMIDINEACETIC ACID ETHYL ESTER, 944905-47-9
IUPAC Name
ethyl 2-[5-(trifluoromethyl)pyrimidin-2-yl]acetate
InChI Key
NRDUYVFZKKRJSA-UHFFFAOYSA-N
Exact Mass
234.06200
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C9H9F3N2O2.
What is the molecular weight of the compound?
The molecular weight is 234.17 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 2-[5-(trifluoromethyl)pyrimidin-2-yl]acetate.
What is the InChI of the compound?
The InChI is InChI=1S/C9H9F3N2O2/c1-2-16-8(15)3-7-13-4-6(5-14-7)9(10,11)12/h4-5H,2-3H2,1H3.
What is the InChIKey of the compound?
The InChIKey is NRDUYVFZKKRJSA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCOC(=O)CC1=NC=C(C=N1)C(F)(F)F.
What is the CAS number of the compound?
The CAS number is 944905-47-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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