4-Chloro-N-methyl-2-nitroaniline - CAS 15950-17-1
Catalog: |
BB011539 |
Product Name: |
4-Chloro-N-methyl-2-nitroaniline |
CAS: |
15950-17-1 |
Synonyms: |
4-chloro-N-methyl-2-nitroaniline; 4-chloro-N-methyl-2-nitroaniline |
IUPAC Name: | 4-chloro-N-methyl-2-nitroaniline |
Description: | 4-Chloro-N-methyl-2-nitroaniline (CAS# 15950-17-1) is used for catalytic hydrogenation to synthesize 2-(trifluoromethyl)benzimidazole derivatives. |
Molecular Weight: | 186.60 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | CNC1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7ClN2O2/c1-9-6-3-2-5(8)4-7(6)10(11)12/h2-4,9H,1H3 |
InChI Key: | LUTBHMSHJATKIS-UHFFFAOYSA-N |
MDL: | MFCD00461746 |
LogP: | 2.88610 |
Publication Number | Title | Priority Date |
CN-111170947-A | Preparation method of telmisartan impurity J | 20191023 |
WO-2021077351-A1 | Method for preparing telmisartan impurity j | 20191023 |
US-10550099-B2 | Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors | 20140919 |
US-2019263779-A1 | Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors | 20140919 |
US-2016229830-A1 | Glucosylceramide synthase inhibitors for the treatment of diseases | 20130920 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0196052 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Amines and Anilines
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