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iodomethyl benzoate

iodomethyl benzoate

CAS: 13943-33-4

Formula: C8H7IO2

SMILES: ICOC(=O)C1=CC=CC=C1

IUPAC: iodomethyl benzoate

InChI: InChI=1S/C8H7IO2/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,6H2

Composition: C (36.67%), H (2.69%), I (48.43%), O (12.21%)

Molar Mass: 262.046

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 261.94907
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KCQMUFYIGUHOMQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.75
Topological Polar Surface Area 26.3
Polarizability 19.86
Ring Count 1
Rotatable Bond Count 3

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97% <7 Days 13943-33-4 $20.70-$2,677.55$20.70$32.09$76.59$240.12$448.16$894.24$2,677.55
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95% <6 Days 13943-33-4 $85.10-$485.30$85.10$485.30
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95% <5 Days 13943-33-4 $554.00-$834.00$554.00$834.00
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