Home Amines 1009094-73-8
1009094-73-8,MFCD22494865
Catalog No.:AA000331
1009094-73-8 | 3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
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Purity
Availability
Price(USD)
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1g
96%
in stock  
$873.00   $611.00
- +
5g
96%
in stock  
$2,381.00   $1,667.00
- +
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Technical Information
Catalog Number:
AA000331
Chemical Name:
3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS Number:
1009094-73-8
Molecular Formula:
C13H18BNO4
Molecular Weight:
263.0973
MDL Number:
MFCD22494865
IUPAC Name:
3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-5-8(11(16)17)6-10(15)7-9/h5-7H,15H2,1-4H3,(H,16,17)
InChI Key:
FCBHIFVGVWWHIM-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.133g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.1g/mol
Monoisotopic Mass:
263.133g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1009094-73-8 
3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid 
3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid 
AKOS026672380 
ZINC170008137 
DA-16409 
FT-0718711 
Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
Literature
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