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Home > Boronic Acids > 871126-27-1
871126-27-1 | (3-Bromo-5-propoxyphenyl)boronic acid
CAS No: 871126-27-1 Catalog No: AG003J3C MDL No:MFCD07784394
Product Description
Catalog Number:
AG003J3C
Chemical Name:
(3-Bromo-5-propoxyphenyl)boronic acid
CAS Number:
871126-27-1
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD07784394
IUPAC Name:
(3-bromo-5-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,2-3H2,1H3
InChI Key:
OHFYAFQVSGUNME-UHFFFAOYSA-N
SMILES:
CCCOc1cc(Br)cc(c1)B(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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