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Home > Boronic Acids > 871332-77-3
871332-77-3 | 3-(Methylcarbamoyl)-5-nitrophenylboronic acid
CAS No: 871332-77-3 Catalog No: AG004OSZ MDL No:MFCD07783869
Product Description
Catalog Number:
AG004OSZ
Chemical Name:
3-(Methylcarbamoyl)-5-nitrophenylboronic acid
CAS Number:
871332-77-3
Molecular Formula:
C8H9BN2O5
Molecular Weight:
223.9785
MDL Number:
MFCD07783869
IUPAC Name:
[3-(methylcarbamoyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C8H9BN2O5/c1-10-8(12)5-2-6(9(13)14)4-7(3-5)11(15)16/h2-4,13-14H,1H3,(H,10,12)
InChI Key:
USCXJPBVVDHSKA-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.979g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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