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methyl 6-chloro-2-fluoro-3-(trifluoromethyl)benzoate

methyl 6-chloro-2-fluoro-3-(trifluoromethyl)benzoate

CAS: 1805458-07-4

Formula: C9H5ClF4O2

SMILES: COC(=O)C1=C(Cl)C=CC(=C1F)C(F)(F)F

IUPAC: methyl 6-chloro-2-fluoro-3-(trifluoromethyl)benzoate

InChI: InChI=1S/C9H5ClF4O2/c1-16-8(15)6-5(10)3-2-4(7(6)11)9(12,13)14/h2-3H,1H3

Composition: C (42.13%), H (1.96%), Cl (13.82%), F (29.62%), O (12.47%)

Molar Mass: 256.58

Atom Count: 21

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.9914198
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey MMOOQXIJQZWRJJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.08
Topological Polar Surface Area 26.3
Polarizability 17.98
Ring Count 1
Rotatable Bond Count 3

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98% <5 Days 1805458-07-4 $78.18-$1,267.31$78.18$131.14$351.82$1,267.31
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