5-Amino-2-bromo-4-fluorobenzoic Acid Methyl Ester - CAS 1036389-86-2
Catalog: |
BB074972 |
Product Name: |
5-Amino-2-bromo-4-fluorobenzoic Acid Methyl Ester |
CAS: |
1036389-86-2 |
Synonyms: |
methyl 5-amino-2-bromo-4-fluorobenzoate; 5-Amino-2-bromo-4-fluorobenzoic Acid Methyl Ester; methyl5-amino-2-bromo-4-fluorobenzoate |
IUPAC Name: | methyl 5-amino-2-bromo-4-fluorobenzoate |
Molecular Weight: | 248.05 |
Molecular Formula: | C8H7BrFNO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1Br)F)N |
InChI: | InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3 |
InChI Key: | QMTDDCURRBENGD-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.96442 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.96442 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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