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methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

CAS: 175137-27-6

Formula: C7H4ClF3N2O2

SMILES: COC(=O)C1=CN=C(Cl)N=C1C(F)(F)F

IUPAC: methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

InChI: InChI=1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3

Composition: C (34.95%), H (1.68%), Cl (14.74%), F (23.69%), N (11.65%), O (13.30%)

Molar Mass: 240.57

Atom Count: 19

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 239.9913396
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VLUBJYUOPNGBOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.85
Topological Polar Surface Area 52.08
Polarizability 16.66
Ring Count 1
Rotatable Bond Count 3

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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 175137-27-6 $34.50-$67.85$34.50$67.85
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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 175137-27-6 $94.50-$283.50$94.50$283.50
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