3-Bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole - CAS 174790-35-3
Catalog: |
BB072196 |
Product Name: |
3-Bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole |
CAS: |
174790-35-3 |
Synonyms: |
3-BROMO-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE; 3-BROMO-4H,5H,6H-PYRROLO[1,2-B]PYRAZOLE; 3-Bromo-5,6- dihydro-4H-pyrrolo[1,2-b]pyrazole; 4H-PYRROLO[1,2-B]PYRAZOLE, 3-BROMO-5,6-DIHYDRO- |
IUPAC Name: | 3-bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole |
Molecular Weight: | 187.04 |
Molecular Formula: | C6H7BrN2 |
Canonical SMILES: | C1CC2=C(C=NN2C1)Br |
InChI: | InChI=1S/C6H7BrN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2 |
InChI Key: | ASLSBGAOXZIHHP-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: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.97926 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.97926 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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