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154990-20-2 | Boronic acid, [(1Z)-2-bromo-1-propenyl]-, bis(1-methylethyl) ester (9CI)
CAS No: 154990-20-2 Catalog No: AG001NIR MDL No:
Product Description
Catalog Number:
AG001NIR
Chemical Name:
Boronic acid, [(1Z)-2-bromo-1-propenyl]-, bis(1-methylethyl) ester (9CI)
CAS Number:
154990-20-2
Molecular Formula:
C9H18BBrO2
Molecular Weight:
248.9530
IUPAC Name:
2-bromoprop-1-enyl-di(propan-2-yloxy)borane
InChI:
InChI=1S/C9H18BBrO2/c1-7(2)12-10(6-9(5)11)13-8(3)4/h6-8H,1-5H3
InChI Key:
ZKNIATHEQIVKNN-UHFFFAOYSA-N
SMILES:
CC(OB(/C=C(\Br)/C)OC(C)C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.955g/mol
Monoisotopic Mass:
248.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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