Methyl 2-amino-4-bromo-5-chlorobenzoate - CAS 1445322-56-4
Catalog: |
BB056522 |
Product Name: |
Methyl 2-amino-4-bromo-5-chlorobenzoate |
CAS: |
1445322-56-4 |
Synonyms: |
METHYL 2-AMINO-4-BROMO-5-CHLOROBENZOATE; METHYL2-AMINO-4-BROMO-5-CHLOROBENZOATE |
IUPAC Name: | methyl 2-amino-4-bromo-5-chlorobenzoate |
Description: | Methyl 2-amino-4-bromo-5-chlorobenzoate |
Molecular Weight: | 264.5 |
Molecular Formula: | C8H7BrClNO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1N)Br)Cl |
InChI: | InChI=1S/C8H7BrClNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3 |
InChI Key: | MVUXWLVSWKZDLJ-UHFFFAOYSA-N |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.93487 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.93487 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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