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Home > Boronic Acids > 825630-80-6
825630-80-6 | 2-(pyrrolidin-1-yl)-N-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetaMide
CAS No: 825630-80-6 Catalog No: AG00G9YT MDL No:
Product Description
Catalog Number:
AG00G9YT
Chemical Name:
2-(pyrrolidin-1-yl)-N-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetaMide
CAS Number:
825630-80-6
Molecular Formula:
C18H27BN2O3
Molecular Weight:
330.2296
IUPAC Name:
2-pyrrolidin-1-yl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)14-7-9-15(10-8-14)20-16(22)13-21-11-5-6-12-21/h7-10H,5-6,11-13H2,1-4H3,(H,20,22)
InChI Key:
AZRWWXWGBIEILY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CN1CCCC1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.235g/mol
Monoisotopic Mass:
330.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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