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methyl 2-chloro-6-iodobenzoate

methyl 2-chloro-6-iodobenzoate

CAS: 1261559-47-0

Formula: C8H6ClIO2

SMILES: COC(=O)C1=C(Cl)C=CC=C1I

IUPAC: methyl 2-chloro-6-iodobenzoate

InChI: InChI=1S/C8H6ClIO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

Composition: C (32.41%), H (2.04%), Cl (11.96%), I (42.80%), O (10.79%)

Molar Mass: 296.49

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 295.9101
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LYTZVCICIVVFRE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.25
Topological Polar Surface Area 26.3
Polarizability 22
Ring Count 1
Rotatable Bond Count 2

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98% <5 Days 1261559-47-0 $63.05-$583.84$63.05$116.01$295.07$583.84
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