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Home > Boronic Acids > 63503-60-6
63503-60-6 | 3-Chlorobenzeneboronic Acid
CAS No: 63503-60-6 Catalog No: AG0033O8 MDL No:MFCD00161354
Product Description
Catalog Number:
AG0033O8
Chemical Name:
3-Chlorobenzeneboronic Acid
CAS Number:
63503-60-6
Molecular Formula:
C6H6BClO2
Molecular Weight:
156.3746
MDL Number:
MFCD00161354
IUPAC Name:
(3-chlorophenyl)boronic acid
InChI:
InChI=1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key:
SDEAGACSNFSZCU-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)B(O)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.372g/mol
Monoisotopic Mass:
156.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 2-(4-Chloro-phen-yl)naphtho-[1,8-de][1,3,2]diaza-borinane. | Acta crystallographica. Section E, Structure reports online 20110801 |
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