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4-iodo-2-methylbenzoic acid

4-iodo-2-methylbenzoic acid

CAS: 133232-58-3

Formula: C8H7IO2

SMILES: CC1=CC(I)=CC=C1C(O)=O

IUPAC: 4-iodo-2-methylbenzoic acid

InChI: InChI=1S/C8H7IO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

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 2
Hydrogen Bond Donor Count 1
InChIKey KISJQMPHSCFGKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.72
Topological Polar Surface Area 37.3
Polarizability 19.69
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95.5% <7 Days 133232-58-3 $22.44-$1,272.54$22.44$103.79$189.81$474.05$1,272.54
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Purity LeadTime CAS PacketSize UnitPrice
96% <7 Days 133232-58-3 $11.39-$1,007.06$11.39$11.39$39.33$156.29$277.38$656.19$1,007.06
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 133232-58-3 $62.10-$1,731.90$62.10$223.10$389.85$638.25$1,731.90
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 133232-58-3 $462.00-$738.00$462.00$572.00$738.00
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