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Home > Boronic Acids > 1092564-35-6
1092564-35-6 | 4-{[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine
CAS No: 1092564-35-6 Catalog No: AG00HBEM MDL No:MFCD27936083
Product Description
Catalog Number:
AG00HBEM
Chemical Name:
4-{[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine
CAS Number:
1092564-35-6
Molecular Formula:
C18H26BNO5
Molecular Weight:
347.2137
MDL Number:
MFCD27936083
IUPAC Name:
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone
InChI:
InChI=1S/C18H26BNO5/c1-17(2)18(3,4)25-19(24-17)13-6-7-14(15(12-13)22-5)16(21)20-8-10-23-11-9-20/h6-7,12H,8-11H2,1-5H3
InChI Key:
IBZJBGLUGBGSNJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)N1CCOCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.19g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.218g/mol
Monoisotopic Mass:
347.19g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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