2-Bromo-4-methyl-5-nitroaniline - CAS 102169-99-3
Catalog: |
BB000795 |
Product Name: |
2-Bromo-4-methyl-5-nitroaniline |
CAS: |
102169-99-3 |
Synonyms: |
2-bromo-4-methyl-5-nitroaniline; 2-bromo-4-methyl-5-nitroaniline |
IUPAC Name: | 2-bromo-4-methyl-5-nitroaniline |
Description: | 2-Bromo-4-methyl-5-nitroaniline (CAS# 102169-99-3) is a useful research chemical. |
Molecular Weight: | 231.05 |
Molecular Formula: | C7H7BrN2O2 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])N)Br |
InChI: | InChI=1S/C7H7BrN2O2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,9H2,1H3 |
InChI Key: | MZYLMACPWDPBQN-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD01239994 |
LogP: | 3.35230 |
Publication Number | Title | Priority Date |
AU-2018224166-A1 | Aryl hydrocarbon receptor (AhR) modulator compounds | 20170221 |
BR-112019015720-A2 | COMPOUND, PHARMACEUTICAL COMPOSITION, AND, USE OF A COMPOUND OR PHARMACEUTICAL COMPOSITION | 20170221 |
EP-3585780-A1 | Aryl hydrocarbon receptor (ahr) modulator compounds | 20170221 |
JP-2020508311-A | Aryl hydrocarbon receptor (AhR) modulator compounds | 20170221 |
KR-20190120293-A | Aryl Hydrocarbon Receptor (AhR) Modulating Compounds | 20170221 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.96909 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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