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Home > Boronic Acids > 1486485-39-5
1486485-39-5 | 1-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1H-imidazole
CAS No: 1486485-39-5 Catalog No: AG00HXNB MDL No:MFCD18735901
Product Description
Catalog Number:
AG00HXNB
Chemical Name:
1-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1H-imidazole
CAS Number:
1486485-39-5
Molecular Formula:
C16H21BN2O2
Molecular Weight:
284.1611
MDL Number:
MFCD18735901
IUPAC Name:
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazole
InChI:
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-7-5-6-13(10-14)11-19-9-8-18-12-19/h5-10,12H,11H2,1-4H3
InChI Key:
FGGDEKJYKHIKDP-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)Cn1ccnc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.17g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.166g/mol
Monoisotopic Mass:
284.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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