3a,4,7,7a-Tetrahydro-2-[[[(4-nitrophenyl)methoxy]carbonyl]oxy]-4,7-methano-1H-isoindole-1,3(2H)-dione - CAS 193269-82-8
Catalog: |
BB014942 |
Product Name: |
3a,4,7,7a-Tetrahydro-2-[[[(4-nitrophenyl)methoxy]carbonyl]oxy]-4,7-methano-1H-isoindole-1,3(2H)-dione |
CAS: |
193269-82-8 |
Synonyms: |
1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl 4-nitrobenzyl carbonate; 3A,4,7,7A-Tetrahydro-2-[[[(4-nitrophenyl)methoxy]carbonyl]oxy]-4,7-methano-1h-isoindole-1,3(2h)-dione; SCHEMBL16090421; CTK8C1622; N-[(4-Nitrophenyl)methyloxycarbonyloxy]-5-norbornene-2,3-dicarboximide; 2-({[(4-Nitrophenyl)methoxy]carbonyl}oxy)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione; PNZ-Onb; PNZ-ONB |
IUPAC Name: | (3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) (4-nitrophenyl)methyl carbonate |
Description: | 3a,4,7,7a-Tetrahydro-2-[[[(4-nitrophenyl)methoxy]carbonyl]oxy]-4,7-methano-1H-isoindole-1,3(2H)-dione (CAS# 193269-82-8) is a useful research chemical. |
Molecular Weight: | 358.30 |
Molecular Formula: | C17H14N2O7 |
Canonical SMILES: | C1C2C=CC1C3C2C(=O)N(C3=O)OC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-] |
InChI: | InChI=1S/C17H14N2O7/c20-15-13-10-3-4-11(7-10)14(13)16(21)18(15)26-17(22)25-8-9-1-5-12(6-2-9)19(23)24/h1-6,10-11,13-14H,7-8H2 |
InChI Key: | JQPBWZAECBQIKQ-UHFFFAOYSA-N |
Boiling Point: | 527.8±60.0 ℃ (Predicted) |
Purity: | 98 % (HPLC) |
Density: | 1.550 g/cm3 (Predicted) |
Appearance: | White or light yellow crystal |
MDL: | MFCD23701439 |
LogP: | 2.43120 |
GHS Hazard Statement: | H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure] |
Precautionary Statement: | P260, P264, P270, P309+P311, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2014274932-A1 | Aminoglycoside Antibiotics with Reduced Ototoxicity | 20130315 |
US-9238670-B2 | Aminoglycoside antibiotics with reduced ototoxicity | 20130315 |
JP-2955276-B2 | Antibacterial agent containing 1-methylcarbapenem derivative | 19970619 |
JP-H1171277-A | Antibacterial agent containing 1-methylcarbapenem derivative | 19970619 |
HU-9901376-A2 | 1-Methylcarbapenem derivatives, their use, their preparation, pharmaceutical compositions containing them | 19951221 |
Complexity: | 647 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 358.08010079 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 358.08010079 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 119 Å2 |
Undefined Atom Stereocenter Count: | 4 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS