4-Iodo-1-methylpyrazole-5-carboxylic Acid - CAS 75092-30-7
Catalog: |
BB035239 |
Product Name: |
4-Iodo-1-methylpyrazole-5-carboxylic Acid |
CAS: |
75092-30-7 |
Synonyms: |
4-iodo-2-methyl-3-pyrazolecarboxylic acid; 4-iodo-2-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 4-iodo-2-methylpyrazole-3-carboxylic acid |
Description: | 4-Iodo-1-methylpyrazole-5-carboxylic Acid (CAS# 75092-30-7) is a useful research chemical. |
Molecular Weight: | 252.01 |
Molecular Formula: | C5H5IN2O2 |
Canonical SMILES: | CN1C(=C(C=N1)I)C(=O)O |
InChI: | InChI=1S/C5H5IN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10) |
InChI Key: | SZRMOKQNOJYMNK-UHFFFAOYSA-N |
Boiling Point: | 362.2 °C at 760 mmHg |
Density: | 2.26 g/cm3 |
LogP: | 0.72290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354677-A | Acrylonitrile compound and preparation method and application thereof | 20210120 |
CA-2907071-A1 | Substituted amide compounds | 20141008 |
TW-201627302-A | Substituted guanamine compound | 20141008 |
US-2016102074-A1 | Substituted amide compounds | 20141008 |
WO-2016055901-A1 | Substituted amide compounds | 20141008 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.93957 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.93957 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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