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Home > Boronic Acids > 1141889-26-0
1141889-26-0 | Boronic acid, B-[1-(4-pyridinylmethyl)-1H-pyrazol-4-yl]-
CAS No: 1141889-26-0 Catalog No: AG000AQV MDL No:MFCD12756416
Product Description
Catalog Number:
AG000AQV
Chemical Name:
Boronic acid, B-[1-(4-pyridinylmethyl)-1H-pyrazol-4-yl]-
CAS Number:
1141889-26-0
Molecular Formula:
C9H10BN3O2
Molecular Weight:
203.0056
MDL Number:
MFCD12756416
IUPAC Name:
[1-(pyridin-4-ylmethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C9H10BN3O2/c14-10(15)9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7,14-15H,6H2
InChI Key:
CFVKZRLVYHPZLH-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)Cc1ccncc1)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.008g/mol
Monoisotopic Mass:
203.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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