Cas no 697229-73-5 ( )
structure
Product Name:
CAS No:697229-73-5
MF:C14H11F2NO
MW:247.240050554276
CID:867138
PubChem ID:1506721
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 3-Fluoro-N-(3-fluoro-2-methylphenyl)benzamide
- Benzamide, 3-fluoro-N-(3-fluoro-2-methylphenyl)- (9CI)
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- Inchi： 1S/C14H11F2NO/c1-9-12(16)6-3-7-13(9)17-14(18)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,17,18)
- InChI Key： OOCQIFMOKOOBIR-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1C)NC(C1C=CC=C(C=1)F)=O
Computed Properties
- Exact Mass: 247.081
- Monoisotopic Mass: 247.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 298
- 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: 3.3
- Topological Polar Surface Area: 29.1?2
Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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