2,5-dioxopyrrolidin-1-yl 2-bromoacetate

2,5-dioxopyrrolidin-1-yl 2-bromoacetate

CAS: 42014-51-7

Formula: C6H6BrNO4

SMILES: BrCC(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 2-bromoacetate

InChI: InChI=1S/C6H6BrNO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h1-3H2

Composition: C (30.53%), H (2.56%), Br (33.85%), N (5.93%), O (27.11%)

Molar Mass: 236.021

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	234.948021
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NKUZQMZWTZAPSN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.93
Topological Polar Surface Area	63.68
Polarizability	16.37
Ring Count	1
Rotatable Bond Count	3

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