CAS
944905-47-9 Purity
96%
944905-47-9 Purity
96%
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2-(Chloromethyl)-4-(trifluoromethyl)pyrimidine
CAS
944905-91-3
Catalog Number
ACM944905913
Category
Other Products
Molecular Weight
196.557570 [g/mol]
Molecular Formula
C6H4ClF3N2
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Specification
Synonyms
2-(chloromethyl)-4-(trifluoromethyl)pyrimidine, 944905-91-3, PubChem21034, CTK5H6737, AKOS006304843, AB59402, AG-L-59657, RP25463, AK123556, KB-15474
IUPAC Name
2-(chloromethyl)-4-(trifluoromethyl)pyrimidine
Canonical SMILES
C1=CN=C(N=C1C(F)(F)F)CCl
InChI Key
CEVIJOALFRBIOW-UHFFFAOYSA-N
Exact Mass
196.00200
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C6H4ClF3N2.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(chloromethyl)-4-(trifluoromethyl)pyrimidine.
What is the molecular weight of the compound?
The molecular weight of the compound is 196.56 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H4ClF3N2/c7-3-5-11-2-1-4(12-5)6(8,9)10/h1-2H,3H2.
What is the InChIKey of the compound?
The InChIKey of the compound is CEVIJOALFRBIOW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CN=C(N=C1C(F)(F)F)CCl.
What is the CAS number of the compound?
The CAS number of the compound is 944905-91-3.
What is the EC number of the compound?
The EC number of the compound is 859-583-2.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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