Cas no 939756-01-1 ( )
structure
Product Name:
CAS No:939756-01-1
MF:C14H12ClN3
MW:257.718181610107
CID:870480
PubChem ID:16244179
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-Chlorobenzyl)-1H-indazol-5-amine
- 1H-Indazol-5-amine, 1-[(4-chlorophenyl)methyl]-
- 1-[(4-Chlorophenyl)methyl]-1H-indazol-5-amine
- 1h-indazol-5-amine,1-[(4-chlorophenyl)methyl]-
- 1-[(4-chlorophenyl)methyl]indazol-5-amine
- 939756-01-1
- TQP1118
-
-
- MDL： MFCD09026348
- Inchi： 1S/C14H12ClN3/c15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18/h1-8H,9,16H2
- InChI Key： UHLQDWIPPQAEMD-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CN1C2C=CC(=CC=2C=N1)N
Computed Properties
- Exact Mass: 257.0719751g/mol
- Monoisotopic Mass: 257.0719751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 278
- 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: 3.1
- Topological Polar Surface Area: 43.8?2
Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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