CAS
65535-53-7 Purity
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65535-53-7 Purity
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Specification
The molecular formula is C6H5ClIN.
The molecular weight is 253.47 g/mol.
The IUPAC name is 5-chloro-2-iodoaniline.
The InChI is InChI=1S/C6H5ClIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2.
The InChIKey is FEOMAFDDLHSVMO-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C=C1Cl)N)I.
The CAS number is 6828-35-9.
The XLogP3-AA value is 2.5.
It has 1 hydrogen bond donor count.
It has 0 rotatable bond count.