7-Bromo-1H-imidazo[4,5-c]pyridin-2(3H)-one - CAS 161836-12-0
Catalog: |
BB011790 |
Product Name: |
7-Bromo-1H-imidazo[4,5-c]pyridin-2(3H)-one |
CAS: |
161836-12-0 |
Synonyms: |
7-bromo-1,3-dihydroimidazo[4,5-c]pyridin-2-one; 7-bromo-1,3-dihydroimidazo[4,5-c]pyridin-2-one |
IUPAC Name: | 7-bromo-1,3-dihydroimidazo[4,5-c]pyridin-2-one |
Description: | 7-Bromo-1H-imidazo[4,5-c]pyridin-2(3H)-one (CAS# 161836-12-0) is a useful research chemical. |
Molecular Weight: | 214.02 |
Molecular Formula: | C6H4BrN3O |
Canonical SMILES: | C1=C2C(=C(C=N1)Br)NC(=O)N2 |
InChI: | InChI=1S/C6H4BrN3O/c7-3-1-8-2-4-5(3)10-6(11)9-4/h1-2H,(H2,9,10,11) |
InChI Key: | LACRAZSEDWFGFM-UHFFFAOYSA-N |
Boiling Point: | 188.9 °C at 760 mmHg |
Density: | 1.837 g/cm3 |
LogP: | 1.01370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.95377 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.95377 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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