552331-16-5 Purity
96%
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Specification
The molecular formula of 5-Bromo-1,3-difluoro-2-methylbenzene is C7H5BrF2.
The molecular weight of 5-Bromo-1,3-difluoro-2-methylbenzene is 207.01 g/mol.
The IUPAC name of 5-Bromo-1,3-difluoro-2-methylbenzene is 5-bromo-1,3-difluoro-2-methylbenzene.
The InChI of 5-Bromo-1,3-difluoro-2-methylbenzene is InChI=1S/C7H5BrF2/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3.
The InChIKey of 5-Bromo-1,3-difluoro-2-methylbenzene is NGINOAWMGMGBPJ-UHFFFAOYSA-N.
The canonical SMILES of 5-Bromo-1,3-difluoro-2-methylbenzene is CC1=C(C=C(C=C1F)Br)F.
The CAS number of 5-Bromo-1,3-difluoro-2-methylbenzene is 179617-08-4.
The hydrogen bond donor count of 5-Bromo-1,3-difluoro-2-methylbenzene is 0.
The hydrogen bond acceptor count of 5-Bromo-1,3-difluoro-2-methylbenzene is 2.
The topological polar surface area of 5-Bromo-1,3-difluoro-2-methylbenzene is 0Ų.