4-iodo-2-methoxy-6-nitroaniline

4-iodo-2-methoxy-6-nitroaniline

CAS: 860466-44-0

Formula: C7H7IN2O3

SMILES: COC1=C(N)C(=CC(I)=C1)[N+]([O-])=O

IUPAC: 4-iodo-2-methoxy-6-nitroaniline

InChI: InChI=1S/C7H7IN2O3/c1-13-6-3-4(8)2-5(7(6)9)10(11)12/h2-3H,9H2,1H3

Composition: C (28.59%), H (2.40%), I (43.16%), N (9.53%), O (16.32%)

Molar Mass: 294.048

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	293.95014
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VKEADNFWTIBIQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.9
Topological Polar Surface Area	78.39
Polarizability	21.32
Ring Count	1
Rotatable Bond Count	2

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