5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

CAS: 229957-02-2

Formula: C12H6BrF3O3

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

IUPAC: 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

InChI: InChI=1S/C12H6BrF3O3/c13-7-3-1-6(2-4-7)9-5-8(11(17)18)10(19-9)12(14,15)16/h1-5H,(H,17,18)

Composition: C (43.01%), H (1.80%), Br (23.85%), F (17.01%), O (14.32%)

Molar Mass: 335.076

Atom Count: 25

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.945242
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CCKZULNPDWAPMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.32
Topological Polar Surface Area	50.44
Polarizability	24.73
Ring Count	2
Rotatable Bond Count	3

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