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1202805-23-9 | Ethyl 2-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidin-2-yl);amino);acetate
CAS No: 1202805-23-9 Catalog No: AG003Q14 MDL No:MFCD12546563
Product Description
Catalog Number:
AG003Q14
Chemical Name:
Ethyl 2-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidin-2-yl);amino);acetate
CAS Number:
1202805-23-9
Molecular Formula:
C14H22BN3O4
Molecular Weight:
307.1532
MDL Number:
MFCD12546563
IUPAC Name:
ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]acetate
InChI:
InChI=1S/C14H22BN3O4/c1-6-20-11(19)9-18-12-16-7-10(8-17-12)15-21-13(2,3)14(4,5)22-15/h7-8H,6,9H2,1-5H3,(H,16,17,18)
InChI Key:
HSOCAWHXCILLMG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.17g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.157g/mol
Monoisotopic Mass:
307.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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