methyl 2-bromo-4-chloro-6-fluorobenzoate

methyl 2-bromo-4-chloro-6-fluorobenzoate

CAS: 943975-33-5

Formula: C8H5BrClFO2

SMILES: COC(=O)C1=C(F)C=C(Cl)C=C1Br

IUPAC: methyl 2-bromo-4-chloro-6-fluorobenzoate

InChI: InChI=1S/C8H5BrClFO2/c1-13-8(12)7-5(9)2-4(10)3-6(7)11/h2-3H,1H3

Composition: C (35.92%), H (1.88%), Br (29.87%), Cl (13.25%), F (7.10%), O (11.96%)

Molar Mass: 267.48

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.914548
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZHDQAVDNSOHLEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.73
Topological Polar Surface Area	26.3
Polarizability	19.51
Ring Count	1
Rotatable Bond Count	2

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