5-Nitro-2-indanone - CAS 116530-60-0
Catalog: |
BB003761 |
Product Name: |
5-Nitro-2-indanone |
CAS: |
116530-60-0 |
Synonyms: |
5-nitro-1,3-dihydroinden-2-one; 5-nitro-1,3-dihydroinden-2-one |
IUPAC Name: | 5-nitro-1,3-dihydroinden-2-one |
Description: | 5-Nitro-2-indanone (CAS# 116530-60-0) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1C(=O)CC2=C1C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7NO3/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-9/h1-3H,4-5H2 |
InChI Key: | VSEBFWRYDORZJI-UHFFFAOYSA-N |
Boiling Point: | 340.6 °C at 760 mmHg |
Density: | 1.396 g/cm3 |
LogP: | 1.78570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019248774-A1 | Heterocyclic compounds as kinase inhibitors | 20180215 |
WO-2019161224-A1 | Heterocyclic compounds as kinase inhibitors | 20180215 |
EP-3752491-A1 | Heterocyclic compounds as kinase inhibitors | 20180215 |
IL-276509-D0 | Heterocyclic compounds as kinase inhibitors | 20180215 |
BR-112020015431-A2 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | 20180215 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS