1,5-diethyl 2,4-dibromopentanedioate

1,5-diethyl 2,4-dibromopentanedioate

CAS: 870-78-0

Formula: C9H14Br2O4

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

IUPAC: 1,5-diethyl 2,4-dibromopentanedioate

InChI: InChI=1/C9H14Br2O4/c1-3-14-8(12)6(10)5-7(11)9(13)15-4-2/h6-7H,3-5H2,1-2H3

Composition: C (31.24%), H (4.08%), Br (46.19%), O (18.50%)

Molar Mass: 346.015

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	343.925885
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DUSLEJGELFKEAS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.18
Topological Polar Surface Area	52.6
Polarizability	24.83
Ring Count	0
Rotatable Bond Count	8

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