3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether - CAS 1334499-94-3
Catalog: |
BB072294 |
Product Name: |
3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether |
CAS: |
1334499-94-3 |
Synonyms: |
6-Bromo-2,4-dihydrospiro[benzo[b][1,4]dioxepine-3,1'-cyclopropane]; 3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether; 6-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]; 6-Bromo-2,4-dihydrospiro[1,5-benzodioxepine-3,1/'-cyclopropane]; 6-Bromo-2,4-dihydrospiro[benzo[b] |
IUPAC Name: | 6-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane] |
Description: | 3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether |
Molecular Weight: | 255.11 |
Molecular Formula: | C11H11BrO2 |
Canonical SMILES: | C1CC12COC3=C(C(=CC=C3)Br)OC2 |
InChI: | InChI=1S/C11H11BrO2/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3H,4-7H2 |
InChI Key: | ARFCYTDJLCCBPB-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.99424 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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