1-Bromo-5-methoxy-2-methyl-3-nitrobenzene

• CAS: 62827-41-2
• Catalog Number: ACM62827412
• Category: Bromine Series
• Molecular Weight: 246.06
• Molecular Formula: C8H8BrNO3
• Synonyms: 2-BROMO-4-METHOXY-6-NITROTOLUENE
• IUPAC Name: 1-bromo-5-methoxy-2-methyl-3-nitrobenzene
• Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])OC)Br
• InChI Key: VMHCFQWEXWUPFT-UHFFFAOYSA-N
• Exact Mass: 244.96900
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The molecular formula is C8H8BrNO3.

What are the synonyms of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The synonyms are 62827-41-2, 2-Bromo-4-methoxy-6-nitrotoluene, Benzene, 1-bromo-5-methoxy-2-methyl-3-nitro-, DTXSID40646168.

What is the molecular weight of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The molecular weight is 246.06 g/mol.

What is the IUPAC name of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The IUPAC name is 1-bromo-5-methoxy-2-methyl-3-nitrobenzene.

What is the InChI of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The InChI is InChI=1S/C8H8BrNO3/c1-5-7(9)3-6(13-2)4-8(5)10(11)12/h3-4H,1-2H3.

What is the InChIKey of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The InChIKey is VMHCFQWEXWUPFT-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The canonical SMILES is CC1=C(C=C(C=C1Br)OC)[N+](=O)[O-].

What is the XLogP3-AA value of 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene?

The XLogP3-AA value is 2.8.

How many hydrogen bond donor counts does 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does 1-Bromo-5-methoxy-2-methyl-3-nitrobenzene have?

It has 1 rotatable bond count.