CAS
39905-45-8 Purity
N/A
39905-45-8 Purity
N/A
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Specification
The molecular formula is C7H7Cl2N.
The molecular weight is 176.04 g/mol.
The IUPAC name is 3,4-dichloro-N-methylaniline.
The InChI is InChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3.
The InChIKey is DUSNCFKVMGTTFK-UHFFFAOYSA-N.
The Canonical SMILES is CNC1=CC(=C(C=C1)Cl)Cl.
The CAS number is 40750-59-2.
The XLogP3 value is 3.4.
It has 1 hydrogen bond donor count.
It has 1 rotatable bond count.