methyl 3,5-dibromobenzoate

methyl 3,5-dibromobenzoate

CAS: 51329-15-8

Formula: C8H6Br2O2

SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1

IUPAC: methyl 3,5-dibromobenzoate

InChI: InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3

Composition: C (32.69%), H (2.06%), Br (54.37%), O (10.89%)

Molar Mass: 293.942

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.873455
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GSMAWUZTAIOCPL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.33
Topological Polar Surface Area	26.3
Polarizability	20.72
Ring Count	1
Rotatable Bond Count	2

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