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5-bromo-4-(1,1-difluoroethyl)pyrimidine

5-bromo-4-(1,1-difluoroethyl)pyrimidine

CAS: 1823642-95-0

Formula: C6H5BrF2N2

SMILES: CC(F)(F)C1=NC=NC=C1Br

IUPAC: 5-bromo-4-(1,1-difluoroethyl)pyrimidine

InChI: InChI=1S/C6H5BrF2N2/c1-6(8,9)5-4(7)2-10-3-11-5/h2-3H,1H3

Composition: C (32.31%), H (2.26%), Br (35.83%), F (17.04%), N (12.56%)

Molar Mass: 223.021

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.960417
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BYUVEUJVMDDHHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.08
Topological Polar Surface Area 25.78
Polarizability 14.96
Ring Count 1
Rotatable Bond Count 1

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98% <2 Days 1823642-95-0 $171.35-$3,447.70$171.35$227.70$342.70$572.70$917.70$3,447.70
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