Cas no 54098-90-7 (Benzoic acid, 2-amino-3,4,5,6-tetrabromo-)
54098-90-7 structure
Product Name:Benzoic acid, 2-amino-3,4,5,6-tetrabromo-
CAS No:54098-90-7
MF:C7H3Br4NO2
MW:452.720218896866
CID:355543
PubChem ID:4227248
Update Time:2025-04-19
Benzoic acid, 2-amino-3,4,5,6-tetrabromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-amino-3,4,5,6-tetrabromo-
- 2-amino-3,4,5,6-tetrabromobenzoic acid
- DTXSID30401026
- 54098-90-7
- AKOS024429182
- tetrabromoanthranilic acid
-
- Inchi： 1S/C7H3Br4NO2/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H2,(H,13,14)
- InChI Key： CLLXPTWYWVRGCW-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=C(C(=C1C(=O)O)N)Br)Br)Br
Computed Properties
- Exact Mass: 448.68959
- Monoisotopic Mass: 448.68973g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 240
- 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: 4.1
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Benzoic acid, 2-amino-3,4,5,6-tetrabromo- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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