methyl 3-bromo-5-chloro-4-methoxybenzoate

methyl 3-bromo-5-chloro-4-methoxybenzoate

Formula: C9H8BrClO3

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

IUPAC: methyl 3-bromo-5-chloro-4-methoxybenzoate

InChI: InChI=1S/C9H8BrClO3/c1-13-8-6(10)3-5(4-7(8)11)9(12)14-2/h3-4H,1-2H3

Composition: C (38.67%), H (2.89%), Br (28.59%), Cl (12.68%), O (17.17%)

Molar Mass: 279.51

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.934535
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UENBNRVZRXWRJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.97
Topological Polar Surface Area	35.53
Polarizability	22.2
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H8BrClO3		Quote Only