Methyl 2-Amino-4-Bromo-5-Methoxybenzoate - CAS 1256955-36-8
Catalog: |
BB060324 |
Product Name: |
Methyl 2-Amino-4-Bromo-5-Methoxybenzoate |
CAS: |
1256955-36-8 |
Synonyms: |
methyl 2-amino-4-bromo-5-methoxybenzoate; 2-Amino-4-bromo-5-methoxy-benzoic acid methyl ester; methyl 2-amino-4-bromo-5-methoxy-benzoate; Benzoic acid, 2-amino-4-bromo-5-methoxy-, methyl ester |
IUPAC Name: | methyl 2-amino-4-bromo-5-methoxybenzoate |
Description: | METHYL 2-AMINO-4-BROMO-5-METHOXYBENZOATE (cas# 1256955-36-8) is a useful research chemical. |
Molecular Weight: | 260.08 |
Molecular Formula: | C9H10NO3Br |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)OC)N)Br |
InChI: | InChI=1S/C9H10BrNO3/c1-13-8-3-5(9(12)14-2)7(11)4-6(8)10/h3-4H,11H2,1-2H3 |
InChI Key: | VLYQTTVQFZRGQX-UHFFFAOYSA-N |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.98441 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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