5,7-Bis(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 937601-43-9
Catalog: |
BB047689 |
Product Name: |
5,7-Bis(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
937601-43-9 |
Synonyms: |
5,7-bis(difluoromethyl)-3-nitro-8-hydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 5,7-bis(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 5,7-Bis(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 937601-43-9 ) is a useful research chemical. |
Molecular Weight: | 308.15 |
Molecular Formula: | C9H4F4N4O4 |
Canonical SMILES: | C1=C(N2C(=C(C(=N2)C(=O)O)[N+](=O)[O-])N=C1C(F)F)C(F)F |
InChI: | InChI=1S/C9H4F4N4O4/c10-6(11)2-1-3(7(12)13)16-8(14-2)5(17(20)21)4(15-16)9(18)19/h1,6-7H,(H,18,19) |
InChI Key: | VBPWHOOONFFZEJ-UHFFFAOYSA-N |
Complexity: | 435 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.01686727 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.01686727 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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