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3-(bromomethyl)-2-methoxy-5-(trifluoromethyl)pyridine

3-(bromomethyl)-2-methoxy-5-(trifluoromethyl)pyridine

CAS: 1227576-08-0

Formula: C8H7BrF3NO

SMILES: COC1=NC=C(C=C1CBr)C(F)(F)F

IUPAC: 3-(bromomethyl)-2-methoxy-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C8H7BrF3NO/c1-14-7-5(3-9)2-6(4-13-7)8(10,11)12/h2,4H,3H2,1H3

Composition: C (35.58%), H (2.61%), Br (29.59%), F (21.11%), N (5.19%), O (5.92%)

Molar Mass: 270.049

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 268.966311
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JQRHSRBXDHBCPM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.5
Topological Polar Surface Area 22.12
Polarizability 18.15
Ring Count 1
Rotatable Bond Count 3

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97% <7 Days 1227576-08-0 $79.70-$7,508.93$79.70$106.61$1,445.90$2,889.72$7,508.93
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97% <6 Days 1227576-08-0 $164.45-$7,102.40$164.45$273.70$819.95$1,366.20$2,732.40$4,371.15$7,102.40
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