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850689-27-9 | Methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No: 850689-27-9 Catalog No: AG004OOY MDL No:MFCD06659919
Product Description
Catalog Number:
AG004OOY
Chemical Name:
Methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
850689-27-9
Molecular Formula:
C14H20BNO4
Molecular Weight:
277.1239
MDL Number:
MFCD06659919
IUPAC Name:
methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,16H2,1-5H3
InChI Key:
LXWQXFHXYBUCJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)N)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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