3-Chloro-6-fluoro-2-methoxybenzoic Acid - CAS 1781848-13-2
Catalog: |
BB062538 |
Product Name: |
3-Chloro-6-fluoro-2-methoxybenzoic Acid |
CAS: |
1781848-13-2 |
Synonyms: |
3-Chloro-6-fluoro-2-methoxybenzoic acid |
IUPAC Name: | 3-chloro-6-fluoro-2-methoxybenzoic acid |
Description: | 3-Chloro-6-fluoro-2-methoxybenzoic acid (cas# 1781848-13-2) is a useful research chemical. |
Molecular Weight: | 204.58 |
Molecular Formula: | C8H6O3FCl |
Canonical SMILES: | COC1=C(C=CC(=C1C(=O)O)F)Cl |
InChI: | InChI=1S/C8H6ClFO3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12/h2-3H,1H3,(H,11,12) |
InChI Key: | KWAPPUIDYSPKMR-UHFFFAOYSA-N |
Melting Point: | 90 - 94°C |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Inert atmosphere |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.9989499 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.9989499 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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