5-Bromo-1,2-dimethyl-1,3-benzodiazole - CAS 99513-17-4
Catalog: |
BB071781 |
Product Name: |
5-Bromo-1,2-dimethyl-1,3-benzodiazole |
CAS: |
99513-17-4 |
Synonyms: |
5-bromo-1,2-dimethyl-1H-benzo[d]imidazole; 5-BROMO-1,2-DIMETHYL-1,3-BENZODIAZOLE; 5-bromo-1,2-dimethylbenzimidazole |
IUPAC Name: | 5-bromo-1,2-dimethylbenzimidazole |
Molecular Weight: | 225.08 |
Molecular Formula: | C9H9BrN2 |
Canonical SMILES: | CC1=NC2=C(N1C)C=CC(=C2)Br |
InChI: | InChI=1S/C9H9BrN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-5H,1-2H3 |
InChI Key: | KXQPLXMYJLKDMW-UHFFFAOYSA-N |
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: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.99491 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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