4-Bromo-3-methoxybenzoic acid - CAS 56256-14-5
Catalog: |
BB029308 |
Product Name: |
4-Bromo-3-methoxybenzoic acid |
CAS: |
56256-14-5 |
Synonyms: |
4-bromo-3-methoxybenzoic acid; 4-bromo-3-methoxybenzoic acid |
IUPAC Name: | 4-bromo-3-methoxybenzoic acid |
Description: | 4-Bromo-3-methoxybenzoic acid (CAS# 56256-14-5) is a useful research chemical. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C(=O)O)Br |
InChI: | InChI=1S/C8H7BrO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11) |
InChI Key: | UEVXVBKBOFGKIN-UHFFFAOYSA-N |
Boiling Point: | 333.7 ℃ at 760 mmHg |
Melting Point: | 221-224 ℃ |
Purity: | 95 % |
Density: | 1.625 g/cm3 |
Storage: | Keep Cold |
MDL: | MFCD08436017 |
LogP: | 2.15590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.95786 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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