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1884710-54-6 | B-[4-[(2-Pyrazinylamino)carbonyl]phenyl]boronic acid
CAS No: 1884710-54-6 Catalog No: AG01DTQ5 MDL No:
Product Description
Catalog Number:
AG01DTQ5
Chemical Name:
B-[4-[(2-Pyrazinylamino)carbonyl]phenyl]boronic acid
CAS Number:
1884710-54-6
Molecular Formula:
C11H10BN3O3
Molecular Weight:
243.0264
IUPAC Name:
[4-(pyrazin-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H10BN3O3/c16-11(15-10-7-13-5-6-14-10)8-1-3-9(4-2-8)12(17)18/h1-7,17-18H,(H,14,15,16)
InChI Key:
BGQDCAUEKBOHQY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)Nc1nccnc1)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.029g/mol
Monoisotopic Mass:
243.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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