Cas no 834911-74-9 (Benzoic acid, 3-[(3,5-difluorophenyl)amino]-)
![Benzoic acid, 3-[(3,5-difluorophenyl)amino]- structure](https://ossimg.kuujia.com/scimg/835000/834911-74-9x500.png)
834911-74-9 structure
Product Name:Benzoic acid, 3-[(3,5-difluorophenyl)amino]-
CAS No:834911-74-9
MF:C13H9F2NO2
MW:249.212870359421
CID:670057
PubChem ID:59385420
Update Time:2025-04-19
Benzoic acid, 3-[(3,5-difluorophenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[(3,5-difluorophenyl)amino]-
- 3-(3,5-difluoroanilino)benzoic acid
- SCHEMBL8314869
- 834911-74-9
- DTXSID60731823
-
- Inchi： 1S/C13H9F2NO2/c14-9-5-10(15)7-12(6-9)16-11-3-1-2-8(4-11)13(17)18/h1-7,16H,(H,17,18)
- InChI Key： NZERVRQYDCCWKI-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)NC1C=CC=C(C(=O)O)C=1)F
Computed Properties
- Exact Mass: 249.06013485g/mol
- Monoisotopic Mass: 249.06013485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 291
- 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: 3.8
- Topological Polar Surface Area: 49.3?2
Benzoic acid, 3-[(3,5-difluorophenyl)amino]- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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