methyl 2-iodo-5-nitrobenzoate

methyl 2-iodo-5-nitrobenzoate

CAS: 112239-00-6

Formula: C8H6INO4

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

IUPAC: methyl 2-iodo-5-nitrobenzoate

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