methyl 2,3,5-trichloro-4-methylbenzoate

methyl 2,3,5-trichloro-4-methylbenzoate

CAS: 203573-15-3

Formula: C9H7Cl3O2

SMILES: COC(=O)C1=CC(Cl)=C(C)C(Cl)=C1Cl

IUPAC: methyl 2,3,5-trichloro-4-methylbenzoate

InChI: InChI=1S/C9H7Cl3O2/c1-4-6(10)3-5(9(13)14-2)8(12)7(4)11/h3H,1-2H3

Composition: C (42.64%), H (2.78%), Cl (41.95%), O (12.62%)

Molar Mass: 253.5

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.9511626
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GNQUYAWRQYGEOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.54
Topological Polar Surface Area	26.3
Polarizability	22.33
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	203573-15-3		$107.19$107.19