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Home > Boronic Acids > 380152-01-2
380152-01-2 | N-(4-methoxybenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 380152-01-2 Catalog No: AG01FFY5 MDL No:
Product Description
Catalog Number:
AG01FFY5
Chemical Name:
N-(4-methoxybenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
380152-01-2
Molecular Formula:
C20H26BNO3
Molecular Weight:
339.2363
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C20H26BNO3/c1-19(2)20(3,4)25-21(24-19)16-7-6-8-17(13-16)22-14-15-9-11-18(23-5)12-10-15/h6-13,22H,14H2,1-5H3
InChI Key:
SZETYZSFGRDOCB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.201g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.242g/mol
Monoisotopic Mass:
339.201g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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