4-bromo-2,5-dichlorobenzoic acid

4-bromo-2,5-dichlorobenzoic acid

CAS: 885532-41-2

Formula: C7H3BrCl2O2

SMILES: OC(=O)C1=C(Cl)C=C(Br)C(Cl)=C1

IUPAC: 4-bromo-2,5-dichlorobenzoic acid

InChI: InChI=1S/C7H3BrCl2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)

Composition: C (31.15%), H (1.12%), Br (29.60%), Cl (26.27%), O (11.86%)

Molar Mass: 269.9

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.869348
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DVJHKDHDHAPDPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.55
Topological Polar Surface Area	37.3
Polarizability	19.63
Ring Count	1
Rotatable Bond Count	1

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