Cas no 110723-51-8 (N-tert-butyl-4-chloro-3-nitrobenzamide)
110723-51-8 structure
Product Name:N-tert-butyl-4-chloro-3-nitrobenzamide
CAS No:110723-51-8
MF:C11H13ClN2O3
MW:256.685521841049
CID:2127521
PubChem ID:1101333
Update Time:2025-04-21
N-tert-butyl-4-chloro-3-nitrobenzamide Chemical and Physical Properties
Names and Identifiers
-
- N-tert-butyl-4-chloro-3-nitrobenzamide
- SR-01000319193
- Z28277791
- SCHEMBL4343389
- DB-321288
- Oprea1_140358
- 110723-51-8
- GBGBZIAJYUVBIC-UHFFFAOYSA-N
- SR-01000319193-1
- AKOS000154174
-
- Inchi： 1S/C11H13ClN2O3/c1-11(2,3)13-10(15)7-4-5-8(12)9(6-7)14(16)17/h4-6H,1-3H3,(H,13,15)
- InChI Key： GBGBZIAJYUVBIC-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1[N+](=O)[O-])C(NC(C)(C)C)=O
Computed Properties
- Exact Mass: 256.0614700Da
- Monoisotopic Mass: 256.0614700Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 309
- 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: 2.5
- Topological Polar Surface Area: 74.9?2
N-tert-butyl-4-chloro-3-nitrobenzamide Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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