Cas no 139548-98-4 (Phenol,2-amino-3,6-difluoro-)
Phenol,2-amino-3,6-difluoro- structure
Product Name:Phenol,2-amino-3,6-difluoro-
CAS No:139548-98-4
MF:C6H5F2NO
MW:145.106808423996
CID:102139
PubChem ID:15145493
Update Time:2025-04-18
Phenol,2-amino-3,6-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-amino-3,6-difluoro-
- 2-Amino-3,6-difluorophenol
- SB75542
- 139548-98-4
- Phenol, 2-amino-3,6-difluoro- (9CI)
- 2-Amino-3,6-diflourophenol
- AKOS006359913
- DTXSID901311574
- HVQKZMKMEQLRJT-UHFFFAOYSA-N
- SCHEMBL102976
-
- Inchi： 1S/C6H5F2NO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H,9H2
- InChI Key： HVQKZMKMEQLRJT-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C(=C1N)O)F
Computed Properties
- Exact Mass: 145.03395
- Monoisotopic Mass: 145.03392011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 122
- 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: 1.1
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.25
Phenol,2-amino-3,6-difluoro- Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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