3-Bromo-5-fluoro-2-methoxyaniline hydrochloride - CAS 1820747-56-5
Catalog: |
BB071965 |
Product Name: |
3-Bromo-5-fluoro-2-methoxyaniline hydrochloride |
CAS: |
1820747-56-5 |
Synonyms: |
3-BROMO-5-FLUORO-2-METHOXYANILINE HCL; 3-Bromo-5-fluoro-2-methoxyaniline hydrochloride; 3-bromo-5-fluoro-2-methoxyaniline; hydrochloride; 3-Bromo-5-fluoro-2-methoxyanilinehydrochloride |
IUPAC Name: | 3-bromo-5-fluoro-2-methoxyanilinehydrochloride |
Description: | 3-Bromo-5-fluoro-2-methoxyaniline HCl |
Molecular Weight: | 256.5 |
Molecular Formula: | C7H8BrClFNO |
Canonical SMILES: | COC1=C(C=C(C=C1Br)F)N.Cl |
InChI: | InChI=1S/C7H7BrFNO.ClH/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,10H2,1H31H |
InChI Key: | TVPUTJVNIWZNDO-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: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.94618 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.94618 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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