Cas no 1395964-06-3 (6-Benzoxazolecarboxylic acid, 2-(3,5-dichlorophenyl)-, methyl ester)
1395964-06-3 structure
Product Name:6-Benzoxazolecarboxylic acid, 2-(3,5-dichlorophenyl)-, methyl ester
CAS No:1395964-06-3
MF:C15H9Cl2NO3
MW:322.142862081528
CID:4733230
PubChem ID:118053752
Update Time:2024-11-06
6-Benzoxazolecarboxylic acid, 2-(3,5-dichlorophenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzoxazolecarboxylic acid, 2-(3,5-dichlorophenyl)-, methyl ester
- methyl 2-(3,5-dichlorophenyl)benzo[d]oxazole-6-carboxylateQ: What is methyl 2-(3,5-dichlorophenyl)benzo[d]oxazole-6-carboxylate Q: What is the CAS Number of methyl 2-(3,5-dichlorophenyl)benzo[d]oxazole-6-carboxylate
- Methyl 2-(3,5-dichlorophenyl)-6-benzoxazolecarboxylate
- CHEMBL4640853
- methyl 2-(3,5-dichlorophenyl)benzo[d]oxazole-6-carboxylate
- DB-416823
- 9RZ2JAH6UB
- 1395964-06-3
- SCHEMBL16689757
- TFM Impurity 1
-
- Inchi： 1S/C15H9Cl2NO3/c1-20-15(19)8-2-3-12-13(6-8)21-14(18-12)9-4-10(16)7-11(17)5-9/h2-7H,1H3
- InChI Key： YPGWHAOERBGEND-UHFFFAOYSA-N
- SMILES： O1C2=CC(C(OC)=O)=CC=C2N=C1C1=CC(Cl)=CC(Cl)=C1
Computed Properties
- Exact Mass: 320.9959485g/mol
- Monoisotopic Mass: 320.9959485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 385
- 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: 4.5
- Topological Polar Surface Area: 52.3?2
6-Benzoxazolecarboxylic acid, 2-(3,5-dichlorophenyl)-, methyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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