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1,4-dimethyl 2,3-dibromobutanedioate

1,4-dimethyl 2,3-dibromobutanedioate

CAS: 1186-98-7

Formula: C6H8Br2O4

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

IUPAC: 1,4-dimethyl 2,3-dibromobutanedioate

InChI: InChI=1/C6H8Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3

Composition: C (23.71%), H (2.65%), Br (52.58%), O (21.06%)

Molar Mass: 303.934

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 301.878935
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XQBOXCHKENCESQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.82
Topological Polar Surface Area 52.6
Polarizability 19.56
Ring Count 0
Rotatable Bond Count 5

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