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1009094-73-8 | Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1009094-73-8 Catalog No: AG00035T MDL No:MFCD22494865
Product Description
Catalog Number:
AG00035T
Chemical Name:
Benzoic acid, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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
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
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