Cas no 7656-12-4 ( )
structure
Product Name:
CAS No:7656-12-4
MF:C10H12FNO2
MW:197.206186294556
CID:982743
PubChem ID:262989
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- AR-1C3095; AG-J-02773; 1-Fluor-2,3,4,6-tetramethyl-5-nitro-benzol; NSC97132; AC1Q4N45; CTK5E3100; 1-fluoro-2,3,4,6-tetramethyl-5-nitro-benzene; NCIOpen2_001773; AC1L68PF;
- NSC97132
- NSC-97132
- NCIOpen2_001773
- 1-fluoro-2,3,4,6-tetramethyl-5-nitrobenzene
- AKOS024324560
- 7656-12-4
- 1-fluoro-2,3,4,6-tetramethyl-5-nitro-benzene
- DTXSID70294570
-
-
- Inchi： 1S/C10H12FNO2/c1-5-6(2)9(11)8(4)10(7(5)3)12(13)14/h1-4H3
- InChI Key： ZBAOGXYSFIUFTP-UHFFFAOYSA-N
- SMILES： FC1C(C)=C(C(C)=C(C)C=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 197.08526
- Monoisotopic Mass: 197.08520679g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 229
- 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: 45.8?2
Experimental Properties
- PSA: 43.14
- LogP: 3.49070
Related Literature
-
Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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