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Home > Boronic Acids > 848779-86-2
848779-86-2 | (3-Bromo-2-propoxyphenyl)boronic acid
CAS No: 848779-86-2 Catalog No: AG003J0U MDL No:MFCD04974114
Product Description
Catalog Number:
AG003J0U
Chemical Name:
(3-Bromo-2-propoxyphenyl)boronic acid
CAS Number:
848779-86-2
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD04974114
IUPAC Name:
(3-bromo-2-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5,12-13H,2,6H2,1H3
InChI Key:
QILIDAIRUWTFHF-UHFFFAOYSA-N
SMILES:
CCCOc1c(Br)cccc1B(O)O
Properties
Complexity:
168
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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