methyl 2-bromo-4-chloro-5-iodobenzoate

methyl 2-bromo-4-chloro-5-iodobenzoate

CAS: 1208077-68-2

Formula: C8H5BrClIO2

SMILES: COC(=O)C1=C(Br)C=C(Cl)C(I)=C1

IUPAC: methyl 2-bromo-4-chloro-5-iodobenzoate

InChI: InChI=1S/C8H5BrClIO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,1H3

Composition: C (25.60%), H (1.34%), Br (21.29%), Cl (9.44%), I (33.81%), O (8.52%)

Molar Mass: 375.38

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	373.82062
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QNXBMBNUPZCSJX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.87
Topological Polar Surface Area	26.3
Polarizability	25.14
Ring Count	1
Rotatable Bond Count	2

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