3-Methyl-4-nitro-1,2-benzenediamine - CAS 170918-27-1
Catalog: |
BB012683 |
Product Name: |
3-Methyl-4-nitro-1,2-benzenediamine |
CAS: |
170918-27-1 |
Synonyms: |
3-methyl-4-nitrobenzene-1,2-diamine; 3-methyl-4-nitrobenzene-1,2-diamine |
IUPAC Name: | 3-methyl-4-nitrobenzene-1,2-diamine |
Description: | 3-Methyl-4-nitro-1,2-benzenediamine (CAS# 170918-27-1 ) is a useful research chemical. |
Molecular Weight: | 167.17 |
Molecular Formula: | C7H9N3O2 |
Canonical SMILES: | CC1=C(C=CC(=C1N)N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H9N3O2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,8-9H2,1H3 |
InChI Key: | BPFCOFUHPWJOQR-UHFFFAOYSA-N |
LogP: | 2.75320 |
Publication Number | Title | Priority Date |
CN-109608406-A | A kind of nitro alkyl quinoxaline or derivatives thereof, aminoalkyl quinoxaline or derivatives thereof and its synthetic method | 20190128 |
WO-2020155925-A1 | Nitroalkyl quinoxaline or derivative thereof, aminoalkyl quinoxaline or derivative thereof, and synthesis method therefor | 20190128 |
CN-108840827-A | The method of the quinoxaline that one-step synthesis method dinitro replaces or derivatives thereof | 20180918 |
CN-108341835-A | Boron-containing compound as tyrosine kinase inhibitor | 20170122 |
EP-3131880-A1 | Aryl and heteroaryl ether compounds as ror gamma modulators | 20140416 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.069476538 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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