Methyl 4-amino-2-bromobenzoate

• Catalog Number: ACM98545643
• Product Name: Methyl 4-amino-2-bromobenzoate
• CAS: 98545-64-3
• Category: Heterocyclic Organic Compound
• Synonyms: methyl 4-amino-2-bromobenzoate, 98545-64-3, AC1NROB8, SureCN3172089, MolPort-003-719-458, BBL023766, CL9065, STL255757, AKOS015953299, AM83234, MCULE-2588756091, QC-5492, AK120911, KB-25316, Benzoic acid,4-amino-2-bromo-,methyl ester, TL80090656, Benzoic acid, 4-amino-2-bromo-, methyl ester
• IUPAC Name: methyl 4-amino-2-bromobenzoate
• Molecular Weight: 230.058620 [g/mol]
• Molecular Formula: C8H8BrNO2
• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)N)Br
• InChI Key: KZOQVTUWEHNNMH-UHFFFAOYSA-N
• Boiling Point: 345.2ºC at 760 mmHg
• Flash Point: 162.6ºC
• Density: 1.578g/cm³
• Exact Mass: 228.97400
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of Methyl 4-amino-2-bromobenzoate?

The molecular formula of Methyl 4-amino-2-bromobenzoate is C8H8BrNO2.

What is the IUPAC name of Methyl 4-amino-2-bromobenzoate?

The IUPAC name of Methyl 4-amino-2-bromobenzoate is methyl 4-amino-2-bromobenzoate.

What is the molecular weight of Methyl 4-amino-2-bromobenzoate?

The molecular weight of Methyl 4-amino-2-bromobenzoate is 230.06 g/mol.

What is the InChI of Methyl 4-amino-2-bromobenzoate?

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

What is the InChIKey of Methyl 4-amino-2-bromobenzoate?

The InChIKey of Methyl 4-amino-2-bromobenzoate is KZOQVTUWEHNNMH-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 4-amino-2-bromobenzoate?

The canonical SMILES of Methyl 4-amino-2-bromobenzoate is COC(=O)C1=C(C=C(C=C1)N)Br.

What is the CAS number of Methyl 4-amino-2-bromobenzoate?

The CAS number of Methyl 4-amino-2-bromobenzoate is 98545-64-3.

How many hydrogen bond donor counts are there in Methyl 4-amino-2-bromobenzoate?

There is 1 hydrogen bond donor count in Methyl 4-amino-2-bromobenzoate.

How many hydrogen bond acceptor counts are there in Methyl 4-amino-2-bromobenzoate?

There are 3 hydrogen bond acceptor counts in Methyl 4-amino-2-bromobenzoate.