Cas no 63561-44-4 (Benzoic acid, 3,5-dibromo-4-(diacetylamino)-)
63561-44-4 structure
Product Name:Benzoic acid, 3,5-dibromo-4-(diacetylamino)-
CAS No:63561-44-4
MF:C11H9Br2NO4
MW:379.001461744308
CID:390035
PubChem ID:71372439
Update Time:2025-04-19
Benzoic acid, 3,5-dibromo-4-(diacetylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,5-dibromo-4-(diacetylamino)-
- 3,5-dibromo-4-(diacetylamino)benzoic acid
- 63561-44-4
- DTXSID70795315
-
- Inchi： 1S/C11H9Br2NO4/c1-5(15)14(6(2)16)10-8(12)3-7(11(17)18)4-9(10)13/h3-4H,1-2H3,(H,17,18)
- InChI Key： NCLBSGKQCSWSFG-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)C=C(C=1N(C(C)=O)C(C)=O)Br
Computed Properties
- Exact Mass: 378.88778g/mol
- Monoisotopic Mass: 376.88983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 348
- 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
- Topological Polar Surface Area: 74.7?2
Benzoic acid, 3,5-dibromo-4-(diacetylamino)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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