Cas no 90888-15-6 (1(3H)-Isobenzofuranone,7-chloro-5,6-dimethoxy-)
90888-15-6 structure
Product Name:1(3H)-Isobenzofuranone,7-chloro-5,6-dimethoxy-
CAS No:90888-15-6
MF:C10H9ClO4
MW:228.629062414169
CID:812392
PubChem ID:240745
Update Time:2025-04-19
1(3H)-Isobenzofuranone,7-chloro-5,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone,7-chloro-5,6-dimethoxy-
- 7-chloro-5,6-dimethoxy-3H-2-benzofuran-1-one
- 7-Chlor-5,6-dimethoxy-phthalid
- 7-Chlor-metameconin
- 7-chloro-5,6-dimethoxy-3H-isobenzofuran-1-one
- DTXSID40286760
- 7-Chloro-5,6-dimethoxyisobenzofuran-1(3H)-one
- NSC-47411
- 90888-15-6
- SCHEMBL15680308
- NSC47411
-
- Inchi： 1S/C10H9ClO4/c1-13-6-3-5-4-15-10(12)7(5)8(11)9(6)14-2/h3H,4H2,1-2H3
- InChI Key： PBMWUDIIQGOPQW-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC2COC(C=21)=O)OC)OC
Computed Properties
- Exact Mass: 228.01900
- Monoisotopic Mass: 228.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- Density: 1.377
- Boiling Point: 435.1°C at 760 mmHg
- Flash Point: 199.6°C
- Refractive Index: 1.561
- PSA: 44.76000
- LogP: 2.02760
1(3H)-Isobenzofuranone,7-chloro-5,6-dimethoxy- Related Literature
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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