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2-chloro-5-iodo-4-(trifluoromethyl)pyrimidine

2-chloro-5-iodo-4-(trifluoromethyl)pyrimidine

CAS: 785777-99-3

Formula: C5HClF3IN2

SMILES: FC(F)(F)C1=NC(Cl)=NC=C1I

IUPAC: 2-chloro-5-iodo-4-(trifluoromethyl)pyrimidine

InChI: InChI=1S/C5HClF3IN2/c6-4-11-1-2(10)3(12-4)5(7,8)9/h1H

Composition: C (19.47%), H (0.33%), Cl (11.49%), F (18.48%), I (41.15%), N (9.08%)

Molar Mass: 308.43

Atom Count: 13

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 307.88251
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FNLLTDZRPSTSMA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.19
Topological Polar Surface Area 25.78
Polarizability 17.77
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 785777-99-3 $129.88-$476.66$129.88$192.93$476.66
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