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1,5-dimethyl 2-bromopentanedioate

1,5-dimethyl 2-bromopentanedioate

CAS: 760-94-1

Formula: C7H11BrO4

SMILES: COC(=O)CCC(Br)C(=O)OC

IUPAC: 1,5-dimethyl 2-bromopentanedioate

InChI: InChI=1/C7H11BrO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4H2,1-2H3

Composition: C (35.17%), H (4.64%), Br (33.42%), O (26.77%)

Molar Mass: 239.065

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 237.984072
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MUPSZQADJPIQMZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.2
Topological Polar Surface Area 52.6
Polarizability 18.21
Ring Count 0
Rotatable Bond Count 6

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