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6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

CAS: 1427460-57-8

Formula: C9H4BrF3N2O2

SMILES: OC(=O)C1=C(N=C2C=CC(Br)=CN12)C(F)(F)F

IUPAC: 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

InChI: InChI=1S/C9H4BrF3N2O2/c10-4-1-2-5-14-7(9(11,12)13)6(8(16)17)15(5)3-4/h1-3H,(H,16,17)

Composition: C (34.98%), H (1.30%), Br (25.86%), F (18.44%), N (9.06%), O (10.35%)

Molar Mass: 309.042

Atom Count: 21

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 307.940825
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey INTMPAQBPBWBSN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.29
Topological Polar Surface Area 54.6
Polarizability 20.28
Ring Count 2
Rotatable Bond Count 2

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