2-Ethynyl-5-nitroaniline - CAS 1245255-75-7
Catalog: |
BB005900 |
Product Name: |
2-Ethynyl-5-nitroaniline |
CAS: |
1245255-75-7 |
Synonyms: |
2-ethynyl-5-nitroaniline; 2-ethynyl-5-nitroaniline |
IUPAC Name: | 2-ethynyl-5-nitroaniline |
Description: | 2-Ethynyl-5-nitroaniline (CAS# 1245255-75-7 ) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C#CC1=C(C=C(C=C1)[N+](=O)[O-])N |
InChI: | InChI=1S/C8H6N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h1,3-5H,9H2 |
InChI Key: | RYWGROJTWVRSSW-UHFFFAOYSA-N |
LogP: | 2.26270 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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