35175-14-5
Product Name:
2-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)-PROPAN-2-OL
Formula:
C7H11N3O3
Synonyms:
2-(1-Methyl-5-nitro-1H-imidazol-2-yl)propan-2-ol;Hydroxy-ipronidazole;IPZOH
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 139.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 185.18 g/mol |
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XLogP3 | -0.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 185.08004122 g/mol |
Monoisotopic Mass | 185.08004122 g/mol |
Topological Polar Surface Area | 83.9 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 214 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |