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Home > Boronic Acids > 1150114-78-5
1150114-78-5 | Boronic acid, B-(2-chloro-5-formylphenyl)-
CAS No: 1150114-78-5 Catalog No: AG000FN1 MDL No:MFCD06656269
Product Description
Catalog Number:
AG000FN1
Chemical Name:
Boronic acid, B-(2-chloro-5-formylphenyl)-
CAS Number:
1150114-78-5
Molecular Formula:
C7H6BClO3
Molecular Weight:
184.3847
MDL Number:
MFCD06656269
IUPAC Name:
(2-chloro-5-formylphenyl)boronic acid
InChI:
InChI=1S/C7H6BClO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4,11-12H
InChI Key:
BGTXLDYEFFSFNR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)B(O)O)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.382g/mol
Monoisotopic Mass:
184.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 2-[4-Chloro-3-(4-ethoxy-benz-yl)phen-yl]-1,3-dithiane. | Acta crystallographica. Section E, Structure reports online 20100601 |
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