methyl 2,5-dichlorobenzoate

methyl 2,5-dichlorobenzoate

CAS: 2905-69-3

Formula: C8H6Cl2O2

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

IUPAC: methyl 2,5-dichlorobenzoate

InChI: InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

Composition: C (46.86%), H (2.95%), Cl (34.58%), O (15.61%)

Molar Mass: 205.03

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.9744848
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SPJQBGGHUDNAIC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.69
Topological Polar Surface Area	26.3
Polarizability	18.6
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	2905-69-3		$6.21-$46.58$6.21$13.46$23.81$46.58