2-Bromo-5-methoxypyridine 1-oxide - CAS 1305322-98-8
Catalog: |
BB071378 |
Product Name: |
2-Bromo-5-methoxypyridine 1-oxide |
CAS: |
1305322-98-8 |
Synonyms: |
2-Bromo-5-methoxypyridine 1-oxide; 2-bromo-5-methoxy-1-oxidopyridin-1-ium; 2-Bromo-5-methoxypyridine1-oxide |
IUPAC Name: | 2-bromo-5-methoxy-1-oxidopyridin-1-ium |
Description: | 2-Bromo-5-methoxypyridine 1-oxide |
Molecular Weight: | 204.02 |
Molecular Formula: | C6H6BrNO2 |
Canonical SMILES: | COC1=C[N+](=C(C=C1)Br)[O-] |
InChI: | InChI=1S/C6H6BrNO2/c1-10-5-2-3-6(7)8(9)4-5/h2-4H,1H3 |
InChI Key: | RWLBKECCSXLSJX-UHFFFAOYSA-N |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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