1,3-dimethyl 2-(4-bromophenyl)propanedioate

1,3-dimethyl 2-(4-bromophenyl)propanedioate

CAS: 149506-35-4

Formula: C11H11BrO4

SMILES: COC(=O)C(C(=O)OC)C1=CC=C(Br)C=C1

IUPAC: 1,3-dimethyl 2-(4-bromophenyl)propanedioate

InChI: InChI=1S/C11H11BrO4/c1-15-10(13)9(11(14)16-2)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3

Composition: C (46.02%), H (3.86%), Br (27.83%), O (22.29%)

Molar Mass: 287.109

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.984072
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UODIEONWLZBSEK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.82
Topological Polar Surface Area	52.6
Polarizability	24.01
Ring Count	1
Rotatable Bond Count	5

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