1,3-dimethyl 2-bromopropanedioate

1,3-dimethyl 2-bromopropanedioate

CAS: 868-26-8

Formula: C5H7BrO4

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

IUPAC: 1,3-dimethyl 2-bromopropanedioate

InChI: InChI=1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3

Composition: C (28.46%), H (3.34%), Br (37.87%), O (30.33%)

Molar Mass: 211.011

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	209.952772
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NEMOJKROKMMQBQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.9
Topological Polar Surface Area	52.6
Polarizability	14.68
Ring Count	0
Rotatable Bond Count	4

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