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Home > Boronic Acids > 1126895-86-0
1126895-86-0 | 4-Acetyl-2-nitrophenylboronic acid
CAS No: 1126895-86-0 Catalog No: AG008SUR MDL No:MFCD16618934
Product Description
Catalog Number:
AG008SUR
Chemical Name:
4-Acetyl-2-nitrophenylboronic acid
CAS Number:
1126895-86-0
Molecular Formula:
C8H8BNO5
Molecular Weight:
208.9638
MDL Number:
MFCD16618934
IUPAC Name:
(4-acetyl-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C8H8BNO5/c1-5(11)6-2-3-7(9(12)13)8(4-6)10(14)15/h2-4,12-13H,1H3
InChI Key:
KERWITSFOARJGF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1B(O)O)C(=O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.964g/mol
Monoisotopic Mass:
209.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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