Cas no 1550666-27-7 ()
structure
Product Name:
CAS No:1550666-27-7
MF:C8H8BrNO
MW:214.0592212677
CID:6769085
PubChem ID:83886230
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C8H8BrNO/c1-5-3-4-7(9)8(10-5)6(2)11/h3-4H,1-2H3
- InChI Key： PNYGIWLWRFLJJJ-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C)N=C1C(C)=O
Computed Properties
- Exact Mass: 212.97893g/mol
- Monoisotopic Mass: 212.97893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 30?2
Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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