Cas no 85107-51-3 (2-amino-4-(dihydroxyboranyl)benzoic acid)
85107-51-3 structure
Product Name:2-amino-4-(dihydroxyboranyl)benzoic acid
CAS No:85107-51-3
MF:C7H8BNO4
MW:180.953722000122
CID:1837575
PubChem ID:55307
Update Time:2025-04-21
2-amino-4-(dihydroxyboranyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-4-(dihydroxyboranyl)benzoic acid
- 2-amino-4-boronobenzoic acid
- SCHEMBL14283158
- Benzoic acid, 2-amino-4-borono-
- ANTHRANILIC ACID, 4-BORONO-
- CHEMBL1082936
- DTXSID60234223
- 3-Amino-4-carboxybenzeneboronic acid
- BRN 3279448
- starbld0019153
- 85107-51-3
- 4-16-00-01687 (Beilstein Handbook Reference)
- Benzeneboronic acid, 3-amino-4-carboxy-
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- Inchi： 1S/C7H8BNO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,9H2,(H,10,11)
- InChI Key： WMNPRECIOQCXGN-UHFFFAOYSA-N
- SMILES： OB(C1C=CC(C(=O)O)=C(C=1)N)O
Computed Properties
- Exact Mass: 181.0546379g/mol
- Monoisotopic Mass: 181.0546379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 199
- 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
- Topological Polar Surface Area: 104?2
2-amino-4-(dihydroxyboranyl)benzoic acid Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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