2-Bromo-3,6-dimethylpyridine - CAS 38749-92-7
Catalog: |
BB072483 |
Product Name: |
2-Bromo-3,6-dimethylpyridine |
CAS: |
38749-92-7 |
Synonyms: |
2-bromo-3,6-dimethylpyridine |
IUPAC Name: | 2-bromo-3,6-dimethylpyridine |
Molecular Weight: | 186.05 |
Molecular Formula: | C7H8NBr |
Canonical SMILES: | CC1=C(N=C(C=C1)C)Br |
InChI: | InChI=1S/C7H8BrN/c1-5-3-4-6(2)9-7(5)8/h3-4H,1-2H3 |
InChI Key: | BKLNQHXCFLTIJA-UHFFFAOYSA-N |
References: | Abblard, J., et al. Bull. Soc. chim. Fr. 6, 2466-81, (1972). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.98401 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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