Cas no 32743-67-2 (1-Bromocyclohepta-1,3,5-triene)
32743-67-2 structure
Product Name:1-Bromocyclohepta-1,3,5-triene
CAS No:32743-67-2
MF:C7H7Br
MW:171.034481287003
CID:2822218
PubChem ID:13040209
Update Time:2025-04-21
1-Bromocyclohepta-1,3,5-triene Chemical and Physical Properties
Names and Identifiers
-
- 1-Bromocyclohepta-1,3,5-triene
- Cycloheptatrienylbromid
- DTXCID50466839
- 32743-67-2
- DTXSID20516032
-
- Inchi： 1S/C7H7Br/c8-7-5-3-1-2-4-6-7/h1-5H,6H2
- InChI Key： XTFBPCRZHBLPLC-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC=CC1
Computed Properties
- Exact Mass: 169.97311g/mol
- Monoisotopic Mass: 169.97311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 152
- 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: 3.1
- Topological Polar Surface Area: 0?2
1-Bromocyclohepta-1,3,5-triene Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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