methyl 5-(trifluoromethoxy)-1H-1,3-benzodiazole-2-carboxylate

methyl 5-(trifluoromethoxy)-1H-1,3-benzodiazole-2-carboxylate

Formula: C10H7F3N2O3

SMILES: COC(=O)C1=NC2=CC(OC(F)(F)F)=CC=C2N1

IUPAC: methyl 5-(trifluoromethoxy)-1H-1,3-benzodiazole-2-carboxylate

InChI: InChI=1S/C10H7F3N2O3/c1-17-9(16)8-14-6-3-2-5(4-7(6)15-8)18-10(11,12)13/h2-4H,1H3,(H,14,15)

Composition: C (46.17%), H (2.71%), F (21.91%), N (10.77%), O (18.45%)

Molar Mass: 260.172

Atom Count: 25

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.040876582
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BCSBQKHYDZWGKC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.54
Topological Polar Surface Area	64.21
Polarizability	21.06
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H7F3N2O3		Quote Only