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1141889-24-8 | Boronic acid, B-[1-(2-aminoethyl)-1H-pyrazol-4-yl]-
CAS No: 1141889-24-8 Catalog No: AG000AQW MDL No:
Product Description
Catalog Number:
AG000AQW
Chemical Name:
Boronic acid, B-[1-(2-aminoethyl)-1H-pyrazol-4-yl]-
CAS Number:
1141889-24-8
Molecular Formula:
C5H10BN3O2
Molecular Weight:
154.9628
IUPAC Name:
[1-(2-aminoethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C5H10BN3O2/c7-1-2-9-4-5(3-8-9)6(10)11/h3-4,10-11H,1-2,7H2
InChI Key:
HVUKTKFOMIASCJ-UHFFFAOYSA-N
SMILES:
NCCn1ncc(c1)B(O)O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.964g/mol
Monoisotopic Mass:
155.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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