Methyl 2,3-diamino-5-bromobenzoate - CAS 1248541-63-0
Catalog: |
BB059772 |
Product Name: |
Methyl 2,3-diamino-5-bromobenzoate |
CAS: |
1248541-63-0 |
Synonyms: |
methyl 2,3-diamino-5-bromobenzoate; 2,3-Diamino-5-bromobenzoic acid methyl ester; Benzoic acid, 2,3-diamino-5-bromo-, methyl ester; Benzoic acid, 2,?3-?diamino-?5-?bromo-?, methyl ester; 2,3-Diamino-5-bromo-benzoic acid methyl ester; methyl2,3-diamino-5-bromobenzoate |
IUPAC Name: | methyl 2,3-diamino-5-bromobenzoate |
Description: | Methyl 2,3-diamino-5-bromobenzoate |
Molecular Weight: | 245.07 |
Molecular Formula: | C8H9BrN2O2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC(=C1)Br)N)N |
InChI: | InChI=1S/C8H9BrN2O2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,10-11H2,1H3 |
InChI Key: | GBHLKSOAANWXOZ-UHFFFAOYSA-N |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.98474 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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