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Home > Boronic Acids > 871332-81-9
871332-81-9 | (3-Nitro-5-(pyrrolidine-1-carbonyl);phenyl);boronic acid
CAS No: 871332-81-9 Catalog No: AG008FBA MDL No:MFCD07783873
Product Description
Catalog Number:
AG008FBA
Chemical Name:
(3-Nitro-5-(pyrrolidine-1-carbonyl);phenyl);boronic acid
CAS Number:
871332-81-9
Molecular Formula:
C11H13BN2O5
Molecular Weight:
264.0423
MDL Number:
MFCD07783873
IUPAC Name:
[3-nitro-5-(pyrrolidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BN2O5/c15-11(13-3-1-2-4-13)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,1-4H2
InChI Key:
DAQRBZSNRHKVIM-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCC1)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.044g/mol
Monoisotopic Mass:
264.092g/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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