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2-chloro-4-iodoaniline

2-chloro-4-iodoaniline

CAS: 42016-93-3

Formula: C6H5ClIN

SMILES: NC1=CC=C(I)C=C1Cl

IUPAC: 2-chloro-4-iodoaniline

InChI: InChI=1S/C6H5ClIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

Composition: C (28.43%), H (1.99%), Cl (13.99%), I (50.07%), N (5.53%)

Molar Mass: 253.47

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.91552
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MYDAOWXYGPEPJT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.93
Topological Polar Surface Area 26.02
Polarizability 18.61
Ring Count 1
Rotatable Bond Count 0

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