methyl 3,5-dichloro-4-methylbenzoate

methyl 3,5-dichloro-4-methylbenzoate

CAS: 203573-09-5

Formula: C9H8Cl2O2

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

IUPAC: methyl 3,5-dichloro-4-methylbenzoate

InChI: InChI=1S/C9H8Cl2O2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3

Composition: C (49.35%), H (3.68%), Cl (32.37%), O (14.61%)

Molar Mass: 219.06

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.9901349
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WWZXFVCHCWYKJD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.73
Topological Polar Surface Area	26.3
Polarizability	20.33
Ring Count	1
Rotatable Bond Count	2

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