2-Bromo-3-methylbenzoic acid - CAS 53663-39-1
Catalog: |
BB028307 |
Product Name: |
2-Bromo-3-methylbenzoic acid |
CAS: |
53663-39-1 |
Synonyms: |
2-bromo-3-methylbenzoic acid |
IUPAC Name: | 2-bromo-3-methylbenzoic acid |
Description: | 2-Bromo-3-methylbenzoic acid (CAS# 53663-39-1) is a useful research chemical. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | CC1=CC=CC(=C1Br)C(=O)O |
InChI: | InChI=1S/C8H7BrO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | LSRTWJCYIWGKCQ-UHFFFAOYSA-N |
Boiling Point: | 308.3 ℃ at 760 mmHg |
Melting Point: | 135-138 ℃ |
Purity: | 98 % |
Density: | 1.599 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00079721 |
LogP: | 2.45570 |
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: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.96294 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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