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5572-94-1 | 2-(4-iodophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS No: 5572-94-1 Catalog No: AG00I9XT MDL No:MFCD26394871
Product Description
Catalog Number:
AG00I9XT
Chemical Name:
2-(4-iodophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS Number:
5572-94-1
Molecular Formula:
C11H14BIO2
Molecular Weight:
315.9431
MDL Number:
MFCD26394871
IUPAC Name:
2-(4-iodophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
InChI:
InChI=1S/C11H14BIO2/c1-11(2)7-14-12(15-8-11)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChI Key:
JKKCLZFCRZKJEG-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1ccc(cc1)I
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.945g/mol
Monoisotopic Mass:
316.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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