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

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

CAS: 1312535-76-4

Formula: C6H4ClF3N2O

SMILES: COC1=NC(Cl)=NC=C1C(F)(F)F

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

InChI: InChI=1S/C6H4ClF3N2O/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3

Composition: C (33.90%), H (1.90%), Cl (16.68%), F (26.81%), N (13.18%), O (7.53%)

Molar Mass: 212.56

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.9964249
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XXUSEPOFBSZNLR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.97
Topological Polar Surface Area	35.01
Polarizability	14.66
Ring Count	1
Rotatable Bond Count	2

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