Cas no 721449-94-1 (BENZENECARBOXIMIDAMIDE, 3-AMINO-4-CHLORO-N-HYDROXY-)
721449-94-1 structure
Product Name:BENZENECARBOXIMIDAMIDE, 3-AMINO-4-CHLORO-N-HYDROXY-
CAS No:721449-94-1
MF:C7H8ClN3O
MW:185.610919952393
CID:3375515
PubChem ID:21864581
Update Time:2025-04-21
BENZENECARBOXIMIDAMIDE, 3-AMINO-4-CHLORO-N-HYDROXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZENECARBOXIMIDAMIDE, 3-AMINO-4-CHLORO-N-HYDROXY-
- 721449-94-1
- 3-amino-4-chloro-N-hydroxybenzene-1-carboximidamide
- EN300-1291362
- SCHEMBL14282527
- 3-Amino-4-chloro-N'-hydroxybenzene-1-carboximidamide
-
- Inchi： 1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)7(10)11-12/h1-3,12H,9H2,(H2,10,11)
- InChI Key： AMKLASVHRZOVBO-UHFFFAOYSA-N
- SMILES： C1(C(NO)=N)=CC=C(Cl)C(N)=C1
Computed Properties
- Exact Mass: 185.0355896Da
- Monoisotopic Mass: 185.0355896Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 185
- 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: 1.4
- Topological Polar Surface Area: 84.6?2
BENZENECARBOXIMIDAMIDE, 3-AMINO-4-CHLORO-N-HYDROXY- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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