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Home > Boronic Acids > 1394900-71-0
1394900-71-0 | Ethyl 5-borono-1-naphthoate
CAS No: 1394900-71-0 Catalog No: AG009BS8 MDL No:MFCD18434432
Product Description
Catalog Number:
AG009BS8
Chemical Name:
Ethyl 5-borono-1-naphthoate
CAS Number:
1394900-71-0
Molecular Formula:
C13H13BO4
Molecular Weight:
244.0509
MDL Number:
MFCD18434432
IUPAC Name:
(5-ethoxycarbonylnaphthalen-1-yl)boronic acid
InChI:
InChI=1S/C13H13BO4/c1-2-18-13(15)11-7-3-6-10-9(11)5-4-8-12(10)14(16)17/h3-8,16-17H,2H2,1H3
InChI Key:
CMIBPCFOMZMVHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1cccc2B(O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.053g/mol
Monoisotopic Mass:
244.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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