2361-23-1
4-Bromo-2-methylphenol
CAS: 2361-23-1
Molecular Formula: C7H7BrO
2361-23-1 - Names and Identifiers
| Name | 4-Bromo-2-methylphenol |
| CAS | 2361-23-1 |
| InChI | InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 |
| InChIKey | IWJGMJHAIUBWKT-UHFFFAOYSA-N |
2361-23-1 - Physico-chemical Properties
| Molecular Formula | C7H7BrO |
| Molar Mass | 187.03 |
| Melting Point | 64.7 °C |
| Boling Point | 235.0 °C |
2361-23-1 - computational chemistry data
Molecular weight: 187.03g/mol
Whether the compound is standard: True
Accurate quality: 185.96803
Isotope mass: 185.96803
Complexity: 94.9
Number of rotatable chemical bonds: 0
Number of hydrogen bond donors: 1
Hydrogen bond acceptor count: 1
Topological pole surface area: 20.2
Number of heavy atoms: 9
Determine the number of atomic stereocenters: 0
Uncertain number of atomic stereocenters: 0
Determine the number of chemical bond stereocenters: 0
Uncertain number of chemical bond stereocenters: 0
Isotope atom count: 0
Number of covalent bond units: 1
CACTVS Substructure Key Fingerprint:AAADcYBgIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABrASAmAAyBoAAAgCAAiBCAAACAAAgIAQIiAAGCKgIJiKCERKAcAAkwBEImheAwCAOABAAEAAIAAAAIAAgABAAAAAAAAAAAA==
Last Update：2023-08-16 23:22:23
