Cas no 6625-93-0 (Benzoic acid,4-amino-5-bromo-2-hydroxy-)
6625-93-0 structure
Product Name:Benzoic acid,4-amino-5-bromo-2-hydroxy-
Benzoic acid,4-amino-5-bromo-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-amino-5-bromo-2-hydroxy-
- 4-amino-5-bromo-2-hydroxybenzoic acid
- 4-Amino-5-brom-2-hydroxy-benzoesaeure
- 4-amino-5-bromo-2-hydroxy-benzoic acid
- AC1L6H70
- AC1Q25OP
- AR-1G0706
- CTK5C3893
- NSC58608
- SureCN7413097
-
- Inchi： 1S/C7H6BrNO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,9H2,(H,11,12)
- InChI Key： IFOSZAMIVBYHPV-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(=O)O)=C(C=C1N)O
Computed Properties
- Exact Mass: 230.95308
- Monoisotopic Mass: 230.95311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 1.7
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 83.55
- LogP: 2.01630
Benzoic acid,4-amino-5-bromo-2-hydroxy- Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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