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ethyl 2,3-dibromobenzoate

ethyl 2,3-dibromobenzoate

CAS: 54364-80-6

Formula: C9H8Br2O2

SMILES: CCOC(=O)C1=C(Br)C(Br)=CC=C1

IUPAC: ethyl 2,3-dibromobenzoate

InChI: InChI=1S/C9H8Br2O2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3

Composition: C (35.10%), H (2.62%), Br (51.89%), O (10.39%)

Molar Mass: 307.969

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.889105
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GBGOOSVSPZDQOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.08
Topological Polar Surface Area 26.3
Polarizability 22.5
Ring Count 1
Rotatable Bond Count 3

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