3-Amino-4-bromobenzoic acid methylester

• CAS: 46064-79-3
• Catalog Number: ACM46064793
• Category: Bromine Series
• Molecular Weight: 230.06
• Molecular Formula: C8H8NO2Br
• Synonyms: methyl 3-amino-4-bromobenzoate, 46064-79-3, 3-Amino-4-bromobenzoic acid methyl ester, methyl3-amino-4-bromobenzoate, 3-Amino-4-bromobenzoicacidmethyl ester, AG-F-58920, benzoic acid, 3-amino-4-bromo-, methyl ester, 3-Amino-4-bromobenzoic acid methylester, PubChem16736, AC1MZX1M, ACMC-1ALS0, SureCN3926294, KSC495I6H, methyl-3-amino-4-bromobenzoate, CTK3J5463, MolPort-003-984-845, 2-Bromo-5-methoxycarbonylaniline;, WT339, ACN-S003834, ANW-30399
• IUPAC Name: methyl 3-amino-4-bromobenzoate
• SMILES: COC(=O)C1=CC(=C(C=C1)Br)N
• InChI Key: GPMSTDWXXKAKCT-UHFFFAOYSA-N
• Boiling Point: 337ºC at 760 mmHg
• Melting Point: 118-120ºC
• Density: 1.578 g/cm³
• Exact Mass: 228.97400
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the PubChem CID for 3-Amino-4-bromobenzoic acid methylester?

PubChem CID 3928639.

What is the molecular formula of 3-Amino-4-bromobenzoic acid methylester?

The molecular formula is C8H8BrNO2.

What are some synonyms for 3-Amino-4-bromobenzoic acid methylester?

Some synonyms include methyl 3-amino-4-bromobenzoate, 46064-79-3, MFCD00553090, 3-amino-4-bromo-benzoic acid methyl ester.

What is the molecular weight of 3-Amino-4-bromobenzoic acid methylester?

The molecular weight is 230.06 g/mol.

What is the IUPAC name of 3-Amino-4-bromobenzoic acid methylester?

The IUPAC name is methyl 3-amino-4-bromobenzoate.

What is the InChI of 3-Amino-4-bromobenzoic acid methylester?

The InChI is InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3.

What is the InChIKey of 3-Amino-4-bromobenzoic acid methylester?

The InChIKey is GPMSTDWXXKAKCT-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Amino-4-bromobenzoic acid methylester?

The canonical SMILES is COC(=O)C1=CC(=C(C=C1)Br)N.

What is the CAS number of 3-Amino-4-bromobenzoic acid methylester?

The CAS number is 46064-79-3.

Is 3-Amino-4-bromobenzoic acid methylester the canonicalized compound?

Yes, it is the canonicalized compound.