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Home > Boronic Acids > 870718-04-0
870718-04-0 | (3-Bromo-2-isopropoxyphenyl)boronic acid
CAS No: 870718-04-0 Catalog No: AG004N9B MDL No:MFCD05664347
Product Description
Catalog Number:
AG004N9B
Chemical Name:
(3-Bromo-2-isopropoxyphenyl)boronic acid
CAS Number:
870718-04-0
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD05664347
IUPAC Name:
(3-bromo-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-6(2)14-9-7(10(12)13)4-3-5-8(9)11/h3-6,12-13H,1-2H3
InChI Key:
FKHTXEIXJGJOCH-UHFFFAOYSA-N
SMILES:
CC(Oc1c(Br)cccc1B(O)O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.906g/mol
Monoisotopic Mass:
258.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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