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Home > Boronic Acids > 480438-57-1
480438-57-1 | (3-Chloro-4-propoxyphenyl)boronic acid
CAS No: 480438-57-1 Catalog No: AG006Y4E MDL No:MFCD03701555
Product Description
Catalog Number:
AG006Y4E
Chemical Name:
(3-Chloro-4-propoxyphenyl)boronic acid
CAS Number:
480438-57-1
Molecular Formula:
C9H12BClO3
Molecular Weight:
214.4538
MDL Number:
MFCD03701555
IUPAC Name:
(3-chloro-4-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BClO3/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6,12-13H,2,5H2,1H3
InChI Key:
IDDBWHWERWCIGU-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)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:
214.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.452g/mol
Monoisotopic Mass:
214.057g/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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