2-Methyl-6-nitro-3-phenylpyrazolo[1,5-a]pyrimidine - CAS 932162-86-2
Catalog: |
BB042840 |
Product Name: |
2-Methyl-6-nitro-3-phenylpyrazolo[1,5-a]pyrimidine |
CAS: |
932162-86-2 |
Synonyms: |
SBB024877; STK351820; ZINC12396188 |
IUPAC Name: | 2-methyl-6-nitro-3-phenylpyrazolo[1,5-a]pyrimidine |
Description: | 2-Methyl-6-nitro-3-phenylpyrazolo[1,5-a]pyrimidine (CAS# 932162-86-2 ) is a useful research chemical. |
Molecular Weight: | 254.24 |
Molecular Formula: | C13H10N4O2 |
Canonical SMILES: | CC1=NN2C=C(C=NC2=C1C3=CC=CC=C3)[N+](=O)[O-] |
InChI: | InChI=1S/C13H10N4O2/c1-9-12(10-5-3-2-4-6-10)13-14-7-11(17(18)19)8-16(13)15-9/h2-8H,1H3 |
InChI Key: | WEXSVBWNWCRAMW-UHFFFAOYSA-N |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.08037557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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