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Home > Boronic Acids > 13251-29-1
13251-29-1 | Boronic acid, (iodomethyl)-, dibutyl ester (9CI)
CAS No: 13251-29-1 Catalog No: AG0010SB MDL No:
Product Description
Catalog Number:
AG0010SB
Chemical Name:
Boronic acid, (iodomethyl)-, dibutyl ester (9CI)
CAS Number:
13251-29-1
Molecular Formula:
C9H20BIO2
Molecular Weight:
297.9694
IUPAC Name:
dibutoxy(iodomethyl)borane
InChI:
InChI=1S/C9H20BIO2/c1-3-5-7-12-10(9-11)13-8-6-4-2/h3-9H2,1-2H3
InChI Key:
JTBKQQJNWZOKCS-UHFFFAOYSA-N
SMILES:
ICB(OCCCC)OCCCC
NSC Number:
150868
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.971g/mol
Monoisotopic Mass:
298.06g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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