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1333319-47-3 | Benzoic acid, 2-(aminomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1333319-47-3 Catalog No: AG0014OO MDL No:
Product Description
Catalog Number:
AG0014OO
Chemical Name:
Benzoic acid, 2-(aminomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1333319-47-3
Molecular Formula:
C15H22BNO4
Molecular Weight:
291.1505
IUPAC Name:
methyl 2-(aminomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-8-6-7-10(11(12)9-17)13(18)19-5/h6-8H,9,17H2,1-5H3
InChI Key:
HJJBSLWXNZXUIW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1CN)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.164g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.154g/mol
Monoisotopic Mass:
291.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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