1-(4-iodophenyl)methanamine

1-(4-iodophenyl)methanamine

CAS: 39959-59-6

Formula: C7H8IN

SMILES: NCC1=CC=C(I)C=C1

IUPAC: 1-(4-iodophenyl)methanamine

InChI: InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

Composition: C (36.08%), H (3.46%), I (54.45%), N (6.01%)

Molar Mass: 233.052

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.97014
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KCGZGJOBKAXVSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.89
Topological Polar Surface Area	26.02
Polarizability	18.77
Ring Count	1
Rotatable Bond Count	1

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