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Home > Boronic Acids > 1072945-85-7
1072945-85-7 | (2-Acetamido-5-chlorophenyl);boronic acid
CAS No: 1072945-85-7 Catalog No: AG003BLE MDL No:MFCD11504839
Product Description
Catalog Number:
AG003BLE
Chemical Name:
(2-Acetamido-5-chlorophenyl);boronic acid
CAS Number:
1072945-85-7
Molecular Formula:
C8H9BClNO3
Molecular Weight:
213.4260
MDL Number:
MFCD11504839
IUPAC Name:
(2-acetamido-5-chlorophenyl)boronic acid
InChI:
InChI=1S/C8H9BClNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChI Key:
QKZGXHJFDCIMIN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1B(O)O)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.424g/mol
Monoisotopic Mass:
213.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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