3-Methyl-2,4-dinitroaniline - CAS 10202-92-3
Catalog: |
BB000752 |
Product Name: |
3-Methyl-2,4-dinitroaniline |
CAS: |
10202-92-3 |
Synonyms: |
3-methyl-2,4-dinitroaniline; 3-methyl-2,4-dinitroaniline |
IUPAC Name: | 3-methyl-2,4-dinitroaniline |
Description: | 3-Methyl-2,4-dinitroaniline (CAS# 10202-92-3 ) is a useful research chemical. |
Molecular Weight: | 197.15 |
Molecular Formula: | C7H7N3O4 |
Canonical SMILES: | CC1=C(C=CC(=C1[N+](=O)[O-])N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7N3O4/c1-4-6(9(11)12)3-2-5(8)7(4)10(13)14/h2-3H,8H2,1H3 |
InChI Key: | RGHYJDKBMRBWHS-UHFFFAOYSA-N |
Boiling Point: | 386.5 ℃ at 760 mmHg |
Density: | 1.497 g/cm3 |
LogP: | 3.02120 |
Publication Number | Title | Priority Date |
AU-2008248201-A1 | Compounds as CRTH2 and/or PGD2 receptors modulators and their use for treating asthma and allergic inflammation | 20070502 |
AU-2008248201-B2 | Compounds as CRTH2 and/or PGD2 receptors modulators and their use for treating asthma and allergic inflammation | 20070502 |
CA-2685215-A1 | Compounds and methods useful for treating asthma and allergic inflammation | 20070502 |
CA-2685215-C | Compounds and methods useful for treating asthma and allergic inflammation | 20070502 |
EP-2164828-A2 | Compounds as crth2 and/or pgd2 receptors modulators and their use for treating asthma and allergic inflammation | 20070502 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.04365571 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.04365571 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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