Cas no 1629277-72-0 (4-Bromo-2-iodo-3-methoxy-benzoic acid)
1629277-72-0 structure
Product Name:4-Bromo-2-iodo-3-methoxy-benzoic acid
CAS No:1629277-72-0
MF:C8H6BrIO3
MW:356.939914226532
CID:6839495
PubChem ID:117599765
Update Time:2025-03-26
4-Bromo-2-iodo-3-methoxy-benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 1629277-72-0
- SCHEMBL16108037
- DFSZGGDEFUVXLC-UHFFFAOYSA-N
- 4-Bromo-2-iodo-3-methoxy-benzoic acid
- DB-205768
- 4-Bromo-2-iodo-3-methoxybenzoic acid
-
- Inchi： 1S/C8H6BrIO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
- InChI Key： DFSZGGDEFUVXLC-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=CC=1C(=O)O)Br)OC
Computed Properties
- Exact Mass: 355.85450Da
- Monoisotopic Mass: 355.85450Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 200
- 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: 2.8
- Topological Polar Surface Area: 46.5?2
4-Bromo-2-iodo-3-methoxy-benzoic acid Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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