4-iodo-N-methyl-2-nitroaniline

4-iodo-N-methyl-2-nitroaniline

CAS: 1260791-09-0

Formula: C7H7IN2O2

SMILES: CNC1=C(C=C(I)C=C1)[N+]([O-])=O

IUPAC: 4-iodo-N-methyl-2-nitroaniline

InChI: InChI=1S/C7H7IN2O2/c1-9-6-3-2-5(8)4-7(6)10(11)12/h2-4,9H,1H3

Composition: C (30.24%), H (2.54%), I (45.64%), N (10.08%), O (11.51%)

Molar Mass: 278.049

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.95522
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FZMBFXLLXQGQIL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.93
Topological Polar Surface Area	55.17
Polarizability	20.53
Ring Count	1
Rotatable Bond Count	2

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