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Home > Boronic Acids > 850589-38-7
850589-38-7 | (3-Chloro-4-(chlorocarbonyl)phenyl)boronic acid
CAS No: 850589-38-7 Catalog No: AG003BRT MDL No:MFCD07363765
Product Description
Catalog Number:
AG003BRT
Chemical Name:
(3-Chloro-4-(chlorocarbonyl)phenyl)boronic acid
CAS Number:
850589-38-7
Molecular Formula:
C7H5BCl2O3
Molecular Weight:
218.8298
MDL Number:
MFCD07363765
IUPAC Name:
(4-carbonochloridoyl-3-chlorophenyl)boronic acid
InChI:
InChI=1S/C7H5BCl2O3/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H
InChI Key:
OYBLIGPPYFOHAZ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)Cl)C(=O)Cl)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.971g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.824g/mol
Monoisotopic Mass:
217.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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