1-Bromo-2-methoxy-3-nitrobenzene

• CAS: 98775-19-0
• Catalog Number: ACM98775190
• Category: Bromine Series
• Molecular Weight: 232.0324
• Molecular Formula: C₇H₆BrNO₃
• Synonyms: 1-bromo-2-methoxy-3-nitrobenzene, 98775-19-0, 1-BROMO-2-METHOXY-3-NITRO-BENZENE, 2-Bromo-6-nitroanisole, AN-584/43409814, PubChem16795, ACMC-1AIDP, 2-bromo-6-nitro-anisole, SureCN1707141, KSC496G1R, 3-Bromo-2-methoxynitrobenzene, BEN750, CTK3J6318, MolPort-005-943-612, 3-bromo-2-methoxy-1-nitrobenzene, ANW-40959, SBB097845, ZINC19872893, 1-bromanyl-2-methoxy-3-nitro-benzene, AKOS015851656
• IUPAC Name: 1-bromo-2-methoxy-3-nitrobenzene
• Canonical SMILES: COC1=C(C=CC=C1Br)[N+](=O)[O-]
• InChI Key: YAYBLVOBUIXMQY-UHFFFAOYSA-N
• Boiling Point: 296.418ºC at 760 mmHg
• Flash Point: 133.069ºC
• Density: 1.64 g/cm³
• Exact Mass: 230.95300
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

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

The molecular formula is C7H6BrNO3.

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

The molecular weight is 232.03 g/mol.

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

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

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

The InChI is InChI=1S/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3.

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

The InChIKey is YAYBLVOBUIXMQY-UHFFFAOYSA-N.

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

The canonical SMILES is COC1=C(C=CC=C1Br)[N+](=O)[O-].

What other identifiers are associated with 1-Bromo-2-methoxy-3-nitrobenzene?

The CAS number is 98775-19-0, the EPA DSSTox number is DTXSID00913085, and the Wikidata identifier is Q72446279.

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

The XLogP3-AA value is 2.4.

Does 1-Bromo-2-methoxy-3-nitrobenzene have any defined atom or bond stereocenters?

No, 1-Bromo-2-methoxy-3-nitrobenzene does not have any defined atom or bond stereocenters.