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Home > Boronic Acids > 871332-80-8
871332-80-8 | (3-(Morpholine-4-carbonyl);-5-nitrophenyl);boronic acid
CAS No: 871332-80-8 Catalog No: AG008FBB MDL No:MFCD08056359
Product Description
Catalog Number:
AG008FBB
Chemical Name:
(3-(Morpholine-4-carbonyl);-5-nitrophenyl);boronic acid
CAS Number:
871332-80-8
Molecular Formula:
C11H13BN2O6
Molecular Weight:
280.0417
MDL Number:
MFCD08056359
IUPAC Name:
[3-(morpholine-4-carbonyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C11H13BN2O6/c15-11(13-1-3-20-4-2-13)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,1-4H2
InChI Key:
GKGNPJBVECYLOT-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCOCC1)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.043g/mol
Monoisotopic Mass:
280.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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