Cas no 20940-44-7 (Urea, N-(3-bromophenyl)-N'-methyl-)
20940-44-7 structure
Product Name:Urea, N-(3-bromophenyl)-N'-methyl-
CAS No:20940-44-7
MF:C8H9BrN2O
MW:229.073860883713
CID:1401632
PubChem ID:4650421
Update Time:2025-04-20
Urea, N-(3-bromophenyl)-N'-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-(3-bromophenyl)-N'-methyl-
- N-(3-bromophenyl)-N'-methylurea
- AKOS024336692
- WSWUINCWBBKAGN-UHFFFAOYSA-N
- 1-(3-bromophenyl)-3-methylurea
- SCHEMBL15064987
- 20940-44-7
-
- Inchi： 1S/C8H9BrN2O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)
- InChI Key： WSWUINCWBBKAGN-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)NC(NC)=O
Computed Properties
- Exact Mass: 227.98987
- Monoisotopic Mass: 227.98983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 2.2
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 41.13
Urea, N-(3-bromophenyl)-N'-methyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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