Cas no 721450-71-1 (Benzenecarboximidamide, 4-chloro-2-fluoro-N-hydroxy-)
721450-71-1 structure
Product Name:Benzenecarboximidamide, 4-chloro-2-fluoro-N-hydroxy-
CAS No:721450-71-1
MF:C7H6ClFN2O
MW:188.586743831635
CID:2110950
PubChem ID:87695447
Update Time:2025-04-21
Benzenecarboximidamide, 4-chloro-2-fluoro-N-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboximidamide, 4-chloro-2-fluoro-N-hydroxy-
- (z)-4-chloro-2-fluoro-n'-hydroxybenzene-1-carboximidamide
- 721450-71-1
- SCHEMBL4586556
- EN300-1599763
- 4-Chloro-2-fluoro-N-hydroxy-benzenecarboximidamide
- SCHEMBL16029869
- 4-chloro-2-fluoro-N-hydroxybenzimidamide
-
- Inchi： 1S/C7H6ClFN2O/c8-4-1-2-5(6(9)3-4)7(10)11-12/h1-3,12H,(H2,10,11)
- InChI Key： XDMMDVFFSUHAMV-UHFFFAOYSA-N
- SMILES： ClC1C=CC(/C(=N/O)/N)=C(C=1)F
Computed Properties
- Exact Mass: 188.0152687Da
- Monoisotopic Mass: 188.0152687Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 58.6?2
Benzenecarboximidamide, 4-chloro-2-fluoro-N-hydroxy- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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