4-Bromo-3-methyl-5-phenyl-1H-pyrazole - CAS 13808-66-7
Catalog: |
BB008710 |
Product Name: |
4-Bromo-3-methyl-5-phenyl-1H-pyrazole |
CAS: |
13808-66-7 |
Synonyms: |
4-bromo-5-methyl-3-phenyl-1H-pyrazole |
IUPAC Name: | 4-bromo-5-methyl-3-phenyl-1H-pyrazole |
Description: | 4-Bromo-3-methyl-5-phenyl-1H-pyrazole (CAS# 13808-66-7) is a useful research chemical. |
Molecular Weight: | 237.10 |
Molecular Formula: | C10H9BrN2 |
Canonical SMILES: | CC1=C(C(=NN1)C2=CC=CC=C2)Br |
InChI: | InChI=1S/C10H9BrN2/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13) |
InChI Key: | OMGCVNHAFYEVRU-UHFFFAOYSA-N |
MDL: | MFCD01605715 |
LogP: | 3.14760 |
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 |
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Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.99491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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