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Home > Boronic Acids > 1386860-56-5
1386860-56-5 | 1-[[3-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine
CAS No: 1386860-56-5 Catalog No: AG00HVBC MDL No:MFCD24039629
Product Description
Catalog Number:
AG00HVBC
Chemical Name:
1-[[3-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]pyrrolidine
CAS Number:
1386860-56-5
Molecular Formula:
C18H26BNO3
Molecular Weight:
315.2149
MDL Number:
MFCD24039629
IUPAC Name:
[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C18H26BNO3/c1-13-12-14(16(21)20-10-6-7-11-20)8-9-15(13)19-22-17(2,3)18(4,5)23-19/h8-9,12H,6-7,10-11H2,1-5H3
InChI Key:
BGHSUBKESHIKCN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C)N1CCCC1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.201g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.22g/mol
Monoisotopic Mass:
315.201g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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