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Home > Boronic Acids > 1449134-30-8
1449134-30-8 | N-(3-Hydroxy-propyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
CAS No: 1449134-30-8 Catalog No: AG00HXA6 MDL No:MFCD16294505
Product Description
Catalog Number:
AG00HXA6
Chemical Name:
N-(3-Hydroxy-propyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
CAS Number:
1449134-30-8
Molecular Formula:
C16H24BNO4
Molecular Weight:
305.1771
MDL Number:
MFCD16294505
IUPAC Name:
N-(3-hydroxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C16H24BNO4/c1-15(2)16(3,4)22-17(21-15)13-8-6-12(7-9-13)14(20)18-10-5-11-19/h6-9,19H,5,10-11H2,1-4H3,(H,18,20)
InChI Key:
XAUDYZKEEQLKMX-UHFFFAOYSA-N
SMILES:
OCCCNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.18g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.181g/mol
Monoisotopic Mass:
305.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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