Cas no 605630-36-2 (BENZENAMINE, 2-BROMO-3,4,5,6-TETRACHLORO-)
605630-36-2 structure
Product Name:BENZENAMINE, 2-BROMO-3,4,5,6-TETRACHLORO-
CAS No:605630-36-2
MF:C6H2BrCl4N
MW:309.802776813507
CID:3359502
PubChem ID:12081997
Update Time:2025-04-21
BENZENAMINE, 2-BROMO-3,4,5,6-TETRACHLORO- Chemical and Physical Properties
Names and Identifiers
-
- BENZENAMINE, 2-BROMO-3,4,5,6-TETRACHLORO-
- 2-Br-TCA
- 605630-36-2
- 966-588-4
- 2-bromo-3,4,5,6-tetrachloroaniline
-
- Inchi: 1S/C6H2BrCl4N/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H2
- InChI Key: XWTIDCWHTXYDLM-UHFFFAOYSA-N
- SMILES: C1(N)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Br
Computed Properties
- Exact Mass: 308.80952Da
- Monoisotopic Mass: 306.81247Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 170
- 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: 26?2
BENZENAMINE, 2-BROMO-3,4,5,6-TETRACHLORO- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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