5-Nitro-1,3-dihydroisobenzofuran - CAS 52771-99-0
Catalog: |
BB027941 |
Product Name: |
5-Nitro-1,3-dihydroisobenzofuran |
CAS: |
52771-99-0 |
Synonyms: |
5-nitro-1,3-dihydroisobenzofuran; 5-nitro-1,3-dihydro-2-benzofuran |
IUPAC Name: | 5-nitro-1,3-dihydro-2-benzofuran |
Description: | 5-Nitro-1,3-dihydroisobenzofuran (CAS# 52771-99-0) is a useful research chemical. |
Molecular Weight: | 165.15 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | C1C2=C(CO1)C=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO3/c10-9(11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2 |
InChI Key: | VZIBAMYIHSHADC-UHFFFAOYSA-N |
Boiling Point: | 298 °C |
Density: | 1.36 g/cm3 |
LogP: | 2.14820 |
Publication Number | Title | Priority Date |
US-2018118694-A1 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | 20150424 |
WO-2011159854-A1 | Cyclohexyl-azetidinyl antagonists of ccr2 | 20100617 |
EP-2062901-A1 | Fluoroboron compound having aromatic ring or salt thereof, and process for production of compound having cyclic ether-fused aromatic ring by using the same | 20060911 |
JP-5265368-B2 | Fluoroboron compound having an aromatic ring or a salt thereof, and a method for producing a compound having a cyclic ether condensed aromatic ring using the same | 20060911 |
JP-WO2008032702-A1 | Fluoroboron compound having an aromatic ring or a salt thereof, and a method for producing a compound having a cyclic ether condensed aromatic ring using the same | 20060911 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
-
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
-
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
-
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
-
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
-
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS