CAS
41727-47-3 Purity
96%
41727-47-3 Purity
96%
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Specification
The molecular formula is C7H7BrFN.
The molecular weight is 204.04 g/mol.
The IUPAC name is 4-bromo-2-fluoro-5-methylaniline.
The InChI is InChI=1S/C7H7BrFN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3.
The InChIKey is NBRIVALIHOZFTH-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=C1Br)F)N.
The CAS number is 418762-26-2.
The XLogP3-AA value is 2.4.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.