1,4-dimethyl 2-(2-chloroacetamido)benzene-1,4-dicarboxylate

1,4-dimethyl 2-(2-chloroacetamido)benzene-1,4-dicarboxylate

CAS: 325763-68-6

Formula: C12H12ClNO5

SMILES: COC(=O)C1=CC(NC(=O)CCl)=C(C=C1)C(=O)OC

IUPAC: 1,4-dimethyl 2-(2-chloroacetamido)benzene-1,4-dicarboxylate

InChI: InChI=1S/C12H12ClNO5/c1-18-11(16)7-3-4-8(12(17)19-2)9(5-7)14-10(15)6-13/h3-5H,6H2,1-2H3,(H,14,15)

Composition: C (50.45%), H (4.23%), Cl (12.41%), N (4.90%), O (28.00%)

Molar Mass: 285.68

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.0404002
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MCJXWDAWSRTYBH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.72
Topological Polar Surface Area	81.7
Polarizability	26.05
Ring Count	1
Rotatable Bond Count	6

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