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methyl 4-iodo-3-nitrobenzoate

methyl 4-iodo-3-nitrobenzoate

CAS: 89976-27-2

Formula: C8H6INO4

SMILES: COC(=O)C1=CC=C(I)C(=C1)[N+]([O-])=O

IUPAC: methyl 4-iodo-3-nitrobenzoate

InChI: InChI=1S/C8H6INO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3

Composition: C (31.29%), H (1.97%), I (41.33%), N (4.56%), O (20.84%)

Molar Mass: 307.043

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 306.93415
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SCMBIQRYVKITCY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.77
Topological Polar Surface Area 69.44
Polarizability 22.12
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 89976-27-2 $5.18-$306.36$5.18$9.32$33.12$56.93$105.57$306.36
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