4-Chloro-2-fluoro-3-methoxybenzenemethanamine - CAS 1323966-34-2
Catalog: |
BB070683 |
Product Name: |
4-Chloro-2-fluoro-3-methoxybenzenemethanamine |
CAS: |
1323966-34-2 |
Synonyms: |
(4-Chloro-2-fluoro-3-methoxyphenyl)methanamine |
IUPAC Name: | (4-chloro-2-fluoro-3-methoxyphenyl)methanamine |
Molecular Weight: | 189.61 |
Molecular Formula: | C8H9ClFNO |
Canonical SMILES: | COC1=C(C=CC(=C1F)CN)Cl |
InChI: | InChI=1S/C8H9ClFNO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,4,11H2,1H3 |
InChI Key: | OIGDUJMZHJQGMX-UHFFFAOYSA-N |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0356698 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0356698 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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