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Home > Boronic Acids > 1073354-22-9
1073354-22-9 | 4-(Benzyloxy);-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidine
CAS No: 1073354-22-9 Catalog No: AG003K60 MDL No:MFCD06798267
Product Description
Catalog Number:
AG003K60
Chemical Name:
4-(Benzyloxy);-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidine
CAS Number:
1073354-22-9
Molecular Formula:
C17H20BClN2O3
Molecular Weight:
346.6163
MDL Number:
MFCD06798267
IUPAC Name:
2-chloro-4-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI:
InChI=1S/C17H20BClN2O3/c1-16(2)17(3,4)24-18(23-16)13-10-20-15(19)21-14(13)22-11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChI Key:
YXXPVSCUVOPQBT-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.618g/mol
Monoisotopic Mass:
346.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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