Cas no 172025-87-5 (Benzenamine, 3-bromo-N-(4-nitrophenyl)-)
172025-87-5 structure
Product Name:Benzenamine, 3-bromo-N-(4-nitrophenyl)-
CAS No:172025-87-5
MF:C12H9BrN2O2
MW:293.116061925888
CID:1354078
PubChem ID:4763878
Update Time:2025-04-20
Benzenamine, 3-bromo-N-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-bromo-N-(4-nitrophenyl)-
- 172025-87-5
- AKOS000286045
- 3-Bromo-N-(4-Nitrophenyl)benzenamine
- DB-212090
-
- Inchi： 1S/C12H9BrN2O2/c13-9-2-1-3-11(8-9)14-10-4-6-12(7-5-10)15(16)17/h1-8,14H
- InChI Key： ADBSTADAOGHMQT-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)NC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 291.98477
- Monoisotopic Mass: 291.98474g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 4.4
- Topological Polar Surface Area: 57.8?2
Experimental Properties
- PSA: 55.17
Benzenamine, 3-bromo-N-(4-nitrophenyl)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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