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Home > Boronic Acids > 736989-93-8
736989-93-8 | Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-naphthoate
CAS No: 736989-93-8 Catalog No: AG005BYQ MDL No:MFCD18783177
Product Description
Catalog Number:
AG005BYQ
Chemical Name:
Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-naphthoate
CAS Number:
736989-93-8
Molecular Formula:
C18H21BO4
Molecular Weight:
312.1679
MDL Number:
MFCD18783177
IUPAC Name:
methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
InChI:
InChI=1S/C18H21BO4/c1-17(2)18(3,4)23-19(22-17)15-9-8-12-10-14(16(20)21-5)7-6-13(12)11-15/h6-11H,1-5H3
InChI Key:
WEDOOEMXFXWHAU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.172g/mol
Monoisotopic Mass:
312.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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