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3-bromo-4-fluoro-N,N-dimethylaniline

3-bromo-4-fluoro-N,N-dimethylaniline

CAS: 1227412-35-2

Formula: C8H9BrFN

SMILES: CN(C)C1=CC(Br)=C(F)C=C1

IUPAC: 3-bromo-4-fluoro-N,N-dimethylaniline

InChI: InChI=1S/C8H9BrFN/c1-11(2)6-3-4-8(10)7(9)5-6/h3-5H,1-2H3

Composition: C (44.06%), H (4.16%), Br (36.64%), F (8.71%), N (6.42%)

Molar Mass: 218.069

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.99024
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WQYSRHGLDWDYEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.33
Topological Polar Surface Area 3.24
Polarizability 17.72
Ring Count 1
Rotatable Bond Count 1

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