Cas no 928713-96-6 (ASISCHEM C63605)
ASISCHEM C63605 structure
Product Name:ASISCHEM C63605
CAS No:928713-96-6
MF:C11H7BrN2O
MW:263.090081453323
CID:892161
PubChem ID:17606341
Update Time:2025-04-19
ASISCHEM C63605 Chemical and Physical Properties
Names and Identifiers
-
- ASISCHEM C63605
- AKOS000283983
- 928713-96-6
-
- Inchi： 1S/C11H7BrN2O/c12-10-3-1-9(2-4-10)11-13-5-8(7-15)6-14-11/h1-7H
- InChI Key： HQUINSDEGITEJP-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1N=CC(C=O)=CN=1
Computed Properties
- Exact Mass: 261.97400
- Monoisotopic Mass: 261.97418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 209
- 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: 2
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85000
- LogP: 2.71860
ASISCHEM C63605 Related Literature
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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