Cas no 101336-14-5 (Benzoic acid,2-amino-3-fluoro-5-nitro-)
101336-14-5 structure
Product Name:Benzoic acid,2-amino-3-fluoro-5-nitro-
CAS No:101336-14-5
MF:C7H5FN2O4
MW:200.124005079269
CID:124616
PubChem ID:13561195
Update Time:2025-04-18
Benzoic acid,2-amino-3-fluoro-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-amino-3-fluoro-5-nitro-
- 3-Fluoro-5-nitroanthranilicacid
- Benzoic acid, 2-amino-3-fluoro-5-nitro- (9CI)
- 2-Amino-3-fluoro-5-nitrobenzoic acid
- SCHEMBL3723504
- SY297843
- 2-Amino-3-fluoro-5-nitrobenzoicacid
- MFCD18825973
- 101336-14-5
-
- Inchi： 1S/C7H5FN2O4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,9H2,(H,11,12)
- InChI Key： QULHRHFQIGGDKQ-UHFFFAOYSA-N
- SMILES： FC1=CC(=CC(C(=O)O)=C1N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 200.02335
- Monoisotopic Mass: 200.02333481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 255
- 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: 1.2
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 106.46
Benzoic acid,2-amino-3-fluoro-5-nitro- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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