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Home > Boronic Acids > 1072952-53-4
1072952-53-4 | (3-Chloro-4-formylphenyl);boronic acid
CAS No: 1072952-53-4 Catalog No: AG007ERT MDL No:MFCD08274473
Product Description
Catalog Number:
AG007ERT
Chemical Name:
(3-Chloro-4-formylphenyl);boronic acid
CAS Number:
1072952-53-4
Molecular Formula:
C7H6BClO3
Molecular Weight:
184.3847
MDL Number:
MFCD08274473
IUPAC Name:
(3-chloro-4-formylphenyl)boronic acid
InChI:
InChI=1S/C7H6BClO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H
InChI Key:
KDIYVLXLPNHJRZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)B(O)O
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
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