Nitrothal-isopropyl - CAS 10552-74-6
Catalog: |
BB058704 |
Product Name: |
Nitrothal-isopropyl |
CAS: |
10552-74-6 |
Synonyms: |
Pallitop; 5-Nitro-bis(1-methylethyl) Ester 1,3-Benzenedicarboxylic Acid; 5-Nitro-diisopropyl Ester Isophthalic Acid |
IUPAC Name: | dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate |
Description: | Nitrothal-isopropyl is a pesticide. |
Molecular Weight: | 295.29 |
Molecular Formula: | C14H17NO6 |
Canonical SMILES: | CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C |
InChI: | InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3 |
InChI Key: | VJAWBEFMCIINFU-UHFFFAOYSA-N |
References: | Li, K. et al. Fenxi Shi., 34, 236 (2015). |
Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.10558726 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.10558726 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 98.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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