1,4-dimethyl 2,5-dibromobenzene-1,4-dicarboxylate

1,4-dimethyl 2,5-dibromobenzene-1,4-dicarboxylate

CAS: 18014-00-1

Formula: C10H8Br2O4

SMILES: COC(=O)C1=CC(Br)=C(C=C1Br)C(=O)OC

IUPAC: 1,4-dimethyl 2,5-dibromobenzene-1,4-dicarboxylate

InChI: InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3

Composition: C (34.12%), H (2.29%), Br (45.40%), O (18.18%)

Molar Mass: 351.978

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	349.878935
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QXAFZEQRMJNPLY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.35
Topological Polar Surface Area	52.6
Polarizability	25.27
Ring Count	1
Rotatable Bond Count	4

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