Cas no 327163-78-0 (Benzaldehyde, 2-bromo-6-hydroxy-3-methoxy-)
327163-78-0 structure
Product Name:Benzaldehyde, 2-bromo-6-hydroxy-3-methoxy-
CAS No:327163-78-0
MF:C8H7BrO3
MW:231.043381929398
CID:1457576
PubChem ID:10681007
Update Time:2025-04-20
Benzaldehyde, 2-bromo-6-hydroxy-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-bromo-6-hydroxy-3-methoxy-
- DTXSID501277958
- 2-Bromo-6-hydroxy-3-methoxybenzaldehyde
- 327163-78-0
-
- Inchi： 1S/C8H7BrO3/c1-12-7-3-2-6(11)5(4-10)8(7)9/h2-4,11H,1H3
- InChI Key： OIPYMMRATVNCBB-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=C(C=1C=O)O)OC
Computed Properties
- Exact Mass: 229.95781
- Monoisotopic Mass: 229.95786g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 46.5?2
Experimental Properties
- PSA: 46.53
Benzaldehyde, 2-bromo-6-hydroxy-3-methoxy- Related Literature
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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