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Home > Boronic Acids > 1104637-43-5
1104637-43-5 | n-Butylboronic acid MIDA ester
CAS No: 1104637-43-5 Catalog No: AG003SV4 MDL No:MFCD11215249
Product Description
Catalog Number:
AG003SV4
Chemical Name:
n-Butylboronic acid MIDA ester
CAS Number:
1104637-43-5
Molecular Formula:
C9H16BNO4
Molecular Weight:
213.0386
MDL Number:
MFCD11215249
IUPAC Name:
2-butyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C9H16BNO4/c1-3-4-5-10-14-8(12)6-11(2)7-9(13)15-10/h3-7H2,1-2H3
InChI Key:
YVALLLRUHYHWPU-UHFFFAOYSA-N
SMILES:
CCCCB1OC(=O)CN(CC(=O)O1)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.117g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.04g/mol
Monoisotopic Mass:
213.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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