3-Bromo-2-methoxy-4,5-dimethyl-benzoic Acid - CAS 1245532-88-0
Catalog: |
BB071206 |
Product Name: |
3-Bromo-2-methoxy-4,5-dimethyl-benzoic Acid |
CAS: |
1245532-88-0 |
Synonyms: |
3-bromo-2-methoxy-4,5-dimethylbenzoic acid; Benzoic acid, 3-bromo-2-methoxy-4,5-dimethyl- |
IUPAC Name: | 3-bromo-2-methoxy-4,5-dimethylbenzoic acid |
Molecular Weight: | 259.1 |
Molecular Formula: | C10H11BrO3 |
Canonical SMILES: | CC1=CC(=C(C(=C1C)Br)OC)C(=O)O |
InChI: | InChI=1S/C10H11BrO3/c1-5-4-7(10(12)13)9(14-3)8(11)6(5)2/h4H,1-3H3,(H,12,13) |
InChI Key: | ZOFXLYROINAVAZ-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: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.98916 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.98916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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