2,4-dibromo-5-fluorobenzoic acid

2,4-dibromo-5-fluorobenzoic acid

CAS: 173410-26-9

Formula: C7H3Br2FO2

SMILES: OC(=O)C1=CC(F)=C(Br)C=C1Br

IUPAC: 2,4-dibromo-5-fluorobenzoic acid

InChI: InChI=1S/C7H3Br2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)

Composition: C (28.22%), H (1.02%), Br (53.64%), F (6.38%), O (10.74%)

Molar Mass: 297.905

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	295.848383
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NKVCAJBUGBRHEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.78
Topological Polar Surface Area	37.3
Polarizability	18.71
Ring Count	1
Rotatable Bond Count	1

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