Cas no 21789-40-2 (Benzaldehyde, 4-bromo-2,6-dimethyl-, oxime)
21789-40-2 structure
Product Name:Benzaldehyde, 4-bromo-2,6-dimethyl-, oxime
CAS No:21789-40-2
MF:C9H10BrNO
MW:228.08580160141
CID:1409116
PubChem ID:71358210
Update Time:2025-04-20
Benzaldehyde, 4-bromo-2,6-dimethyl-, oxime Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 4-bromo-2,6-dimethyl-, oxime
- N-[(4-bromo-2,6-dimethylphenyl)methylidene]hydroxylamine
- DTXSID20782230
- 21789-40-2
-
- Inchi： 1S/C9H10BrNO/c1-6-3-8(10)4-7(2)9(6)5-11-12/h3-5,12H,1-2H3
- InChI Key： GIPGAJDBJBXPND-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C(C=NO)=C(C)C=1
Computed Properties
- Exact Mass: 226.9946
- Monoisotopic Mass: 226.99458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.1
- Topological Polar Surface Area: 32.6?2
Experimental Properties
- PSA: 32.59
Benzaldehyde, 4-bromo-2,6-dimethyl-, oxime Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
21789-40-2 (Benzaldehyde, 4-bromo-2,6-dimethyl-, oxime) Related Products
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