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Home > Boronic Acids > 1262133-83-4
1262133-83-4 | t-Butyl 3-((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy)methyl)pyrrol
CAS No: 1262133-83-4 Catalog No: AG00AADC MDL No:MFCD12922768
Product Description
Catalog Number:
AG00AADC
Chemical Name:
t-Butyl 3-((6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yloxy)methyl)pyrrol
CAS Number:
1262133-83-4
Molecular Formula:
C21H32BClN2O5
Molecular Weight:
438.7532
MDL Number:
MFCD12922768
IUPAC Name:
tert-butyl 3-[[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]oxymethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C21H32BClN2O5/c1-19(2,3)28-18(26)25-9-8-14(12-25)13-27-15-10-16(17(23)24-11-15)22-29-20(4,5)21(6,7)30-22/h10-11,14H,8-9,12-13H2,1-7H3
InChI Key:
AMZFPYJLHWLHGE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)COc1cnc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl)OC(C)(C)C
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.209g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.756g/mol
Monoisotopic Mass:
438.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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