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Home > Boronic Acids > 871332-78-4
871332-78-4 | (3-Nitro-5-(piperidine-1-carbonyl);phenyl);boronic acid
CAS No: 871332-78-4 Catalog No: AG008FBC MDL No:MFCD07783871
Product Description
Catalog Number:
AG008FBC
Chemical Name:
(3-Nitro-5-(piperidine-1-carbonyl);phenyl);boronic acid
CAS Number:
871332-78-4
Molecular Formula:
C12H15BN2O5
Molecular Weight:
278.0689
MDL Number:
MFCD07783871
IUPAC Name:
[3-nitro-5-(piperidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BN2O5/c16-12(14-4-2-1-3-5-14)9-6-10(13(17)18)8-11(7-9)15(19)20/h6-8,17-18H,1-5H2
InChI Key:
LJDOEGHKIBCVDJ-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCCC1)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.071g/mol
Monoisotopic Mass:
278.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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