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methyl 2,3-dibromo-4-fluorobenzoate

methyl 2,3-dibromo-4-fluorobenzoate

CAS: 1806327-91-2

Formula: C8H5Br2FO2

SMILES: COC(=O)C1=C(Br)C(Br)=C(F)C=C1

IUPAC: methyl 2,3-dibromo-4-fluorobenzoate

InChI: InChI=1S/C8H5Br2FO2/c1-13-8(12)4-2-3-5(11)7(10)6(4)9/h2-3H,1H3

Composition: C (30.80%), H (1.62%), Br (51.23%), F (6.09%), O (10.26%)

Molar Mass: 311.932

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 309.864034
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YBLBFCFLMIWWEY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.55
Topological Polar Surface Area 26.3
Polarizability 20.67
Ring Count 1
Rotatable Bond Count 2

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