CAS
886499-93-0 Purity
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886499-93-0 Purity
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4-Bromo-2-fluoro-5-nitrotoluene
CAS
1345471-69-3
Catalog Number
ACM1345471693
Category
Bromine Series
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- Product Description
- Case Study
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- Synthetic Use
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What is the molecular formula of 4-Bromo-2-fluoro-5-nitrotoluene?
The molecular formula is C7H5BrFNO2.
What is the molecular weight of 4-Bromo-2-fluoro-5-nitrotoluene?
The molecular weight is 234.02 g/mol.
What is the IUPAC name of 4-Bromo-2-fluoro-5-nitrotoluene?
The IUPAC name is 1-bromo-5-fluoro-4-methyl-2-nitrobenzene.
What is the InChI of 4-Bromo-2-fluoro-5-nitrotoluene?
The InChI is InChI=1S/C7H5BrFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3.
What is the InChIKey of 4-Bromo-2-fluoro-5-nitrotoluene?
The InChIKey is TVQLPBXVLOYFQS-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Bromo-2-fluoro-5-nitrotoluene?
The canonical SMILES is CC1=CC(=C(C=C1F)Br)[N+](=O)[O-].
What is the CAS number of 4-Bromo-2-fluoro-5-nitrotoluene?
The CAS number is 1345471-69-3.
What is the XLogP3-AA value of 4-Bromo-2-fluoro-5-nitrotoluene?
The XLogP3-AA value is 2.9.
What is the hydrogen bond donor count of 4-Bromo-2-fluoro-5-nitrotoluene?
The hydrogen bond donor count is 0.
Is 4-Bromo-2-fluoro-5-nitrotoluene a canonicalized compound?
Yes, it is a canonicalized compound.
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