4-(Bromomethyl)-3,4-dihydro-2H-1-benzopyran - CAS 1343386-51-5
Catalog: |
BB073726 |
Product Name: |
4-(Bromomethyl)-3,4-dihydro-2H-1-benzopyran |
CAS: |
1343386-51-5 |
Synonyms: |
4-(bromomethyl)-3,4-dihydro-2H-1-benzopyran; 4-(Bromomethyl)chromane; 4-(bromomethyl)-3,4-dihydro-2H-chromene |
IUPAC Name: | 4-(bromomethyl)-3,4-dihydro-2H-chromene |
Molecular Weight: | 227.1 |
Molecular Formula: | C10H11BrO |
Canonical SMILES: | C1COC2=CC=CC=C2C1CBr |
InChI: | InChI=1S/C10H11BrO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2 |
InChI Key: | QNEDWUMFEUIUMH-UHFFFAOYSA-N |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.99933 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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