3,6-Difluoro-2-methoxybenzoic acid - CAS 887267-03-0
Catalog: |
BB067695 |
Product Name: |
3,6-Difluoro-2-methoxybenzoic acid |
CAS: |
887267-03-0 |
Synonyms: |
3,6-Difluoro-2-methoxybenzoic acid; 3,6-Difluoro-2-methoxybenzoicacid |
IUPAC Name: | 3,6-difluoro-2-methoxybenzoic acid |
Description: | 3,6-Difluoro-2-methoxybenzoic acid |
Molecular Weight: | 188.13 |
Molecular Formula: | C8H6F2O3 |
Canonical SMILES: | COC1=C(C=CC(=C1C(=O)O)F)F |
InChI: | InChI=1S/C8H6F2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) |
InChI Key: | LFXJCALGZMNDHA-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: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02850037 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02850037 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS