Cas no 57939-04-5 (3-nitro-4-phenoxy-5-sulfamoylbenzoic acid methyl ester)
57939-04-5 structure
Product Name:3-nitro-4-phenoxy-5-sulfamoylbenzoic acid methyl ester
CAS No:57939-04-5
MF:C6H11N3
MW:125.171640634537
CID:2106270
PubChem ID:6483888
Update Time:2025-04-21
3-nitro-4-phenoxy-5-sulfamoylbenzoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-nitro-4-phenoxy-5-sulfamoylbenzoic acid methyl ester
- 1-(1H-Pyrazol-1-yl)-2-propanamine
- 1-(1H-Pyrazol-1-yl)propan-2-aMine
- BBL040014
- CHEMBL4589812
- HMS1704G08
- 936940-15-7
- 1-pyrazol-1-ylpropan-2-amine
- AT12541
- LS-06484
- DA-31631
- 57939-04-5
- UWVUXGHAXNILPG-UHFFFAOYSA-N
- MFCD04970166
- CS-0247251
- 1-(PYRAZOL-1-YL)PROPAN-2-AMINE
- 842-365-6
- [1-Methyl-2-(1H-pyrazol-1-yl)ethyl]amine
- ALBB-021558
- SCHEMBL669126
- STK349723
- AKOS000310603
- EN300-36152
- Z271011614
-
- Inchi: 1S/C6H11N3/c1-6(7)5-9-4-2-3-8-9/h2-4,6H,5,7H2,1H3
- InChI Key: UWVUXGHAXNILPG-UHFFFAOYSA-N
- SMILES: N1(C=CC=N1)CC(C)N
Computed Properties
- Exact Mass: 125.095297364Da
- Monoisotopic Mass: 125.095297364Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 84.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1
- Topological Polar Surface Area: 43.8?2
3-nitro-4-phenoxy-5-sulfamoylbenzoic acid methyl ester Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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