1,3-dimethyl 5-chlorobenzene-1,3-dicarboxylate

1,3-dimethyl 5-chlorobenzene-1,3-dicarboxylate

CAS: 20330-90-9

Formula: C10H9ClO4

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

IUPAC: 1,3-dimethyl 5-chlorobenzene-1,3-dicarboxylate

InChI: InChI=1S/C10H9ClO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3

Composition: C (52.54%), H (3.97%), Cl (15.51%), O (27.99%)

Molar Mass: 228.63

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.0189365
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CMMPMNSOVLQGMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.91
Topological Polar Surface Area	52.6
Polarizability	21.15
Ring Count	1
Rotatable Bond Count	4

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