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1279115-53-5 | 2-(4-iodophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane
CAS No: 1279115-53-5 Catalog No: AG00HRQE MDL No:MFCD28101505
Product Description
Catalog Number:
AG00HRQE
Chemical Name:
2-(4-iodophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane
CAS Number:
1279115-53-5
Molecular Formula:
C12H16BIO2
Molecular Weight:
329.9697
MDL Number:
MFCD28101505
IUPAC Name:
2-(4-iodophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane
InChI:
InChI=1S/C12H16BIO2/c1-9-8-12(2,3)16-13(15-9)10-4-6-11(14)7-5-10/h4-7,9H,8H2,1-3H3
InChI Key:
LTEDPPGGUGAOAC-UHFFFAOYSA-N
SMILES:
CC1OB(OC(C1)(C)C)c1ccc(cc1)I
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.972g/mol
Monoisotopic Mass:
330.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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