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Home > Boronic Acids > 883727-40-0
883727-40-0 | 3-METHOXY-N-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) ANILINE
CAS No: 883727-40-0 Catalog No: AG004IT8 MDL No:
Product Description
Catalog Number:
AG004IT8
Chemical Name:
3-METHOXY-N-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) ANILINE
CAS Number:
883727-40-0
Molecular Formula:
C19H24BNO3
Molecular Weight:
325.2098
IUPAC Name:
3-methoxy-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C19H24BNO3/c1-18(2)19(3,4)24-20(23-18)14-11-16(13-17(12-14)22-5)21-15-9-7-6-8-10-15/h6-13,21H,1-5H3
InChI Key:
QITYDEVNCSHYJD-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)Nc1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.215g/mol
Monoisotopic Mass:
325.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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