Cas no 38052-80-1 ( )
structure
Product Name:
CAS No:38052-80-1
MF:C13H7BrClN
MW:292.558381319046
CID:922926
PubChem ID:282600
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- CTK1C6196; NSC136273; AG-J-45234; AC1Q26YR; AC1L5WTP; 2-bromo-6-chloro-phenanthridine; AR-1D9556; 2-Brom-6-chlorphenanthridin;
- NSC 136273
- NSC-136273
- 38052-80-1
- NSC136273
- DTXSID60300351
- 2-bromo-6-chlorophenanthridine
- SCHEMBL515743
- KGKQZMKTBCDZCZ-UHFFFAOYSA-N
-
-
- Inchi： 1S/C13H7BrClN/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(15)16-12/h1-7H
- InChI Key： KGKQZMKTBCDZCZ-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C(C=1)=C1C=CC=CC1=C(N=2)Cl
Computed Properties
- Exact Mass: 290.94511
- Monoisotopic Mass: 290.94504g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 260
- 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: 5.1
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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