t-Butyl (1-methyl-3-nitro-1H-pyrazol-4-yl)carbamate - CAS 2023002-70-0
Catalog: |
BB051420 |
Product Name: |
t-Butyl (1-methyl-3-nitro-1H-pyrazol-4-yl)carbamate |
CAS: |
2023002-70-0 |
Synonyms: |
2-Methyl-2-propanyl (1-methyl-3-nitro-1H-pyrazol-4-yl)carbamate; Carbamic acid, N-(1-methyl-3-nitro-1H-pyrazol-4-yl)-, 1,1-dimethylethyl ester |
IUPAC Name: | tert-butyl N-(1-methyl-3-nitropyrazol-4-yl)carbamate |
Molecular Weight: | 242.23 |
Molecular Formula: | C9H14N4O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CN(N=C1[N+](=O)[O-])C |
InChI: | InChI=1S/C9H14N4O4/c1-9(2,3)17-8(14)10-6-5-12(4)11-7(6)13(15)16/h5H,1-4H3,(H,10,14) |
InChI Key: | YFDBEUZLKYRVKD-UHFFFAOYSA-N |
Boiling Point: | 330.1±27.0°C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.10150494 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.10150494 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 102 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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