936-05-0
Product Name:
1-Methyl-5-nitro-1H-imidazole-2-methanol
Formula:
C5H7N3O3
Synonyms:
2-Hydroxymethyl-1-methyl-5-nitro-1H-imidazole
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CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 127.78 Ų [M+H]+ |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Health Hazard GHS08 |
GHS Hazard Statements |
H341:Germ cell mutagenicity H351:Carcinogenicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 157.13 g/mol |
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XLogP3 | -0.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 157.04874109 g/mol |
Monoisotopic Mass | 157.04874109 g/mol |
Topological Polar Surface Area | 83.9 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 158 |
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 |