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Home > Boronic Acids > 1416786-06-5
1416786-06-5 | 1-Cyclopentyl-1H-pyrazole-4-boronic acid
CAS No: 1416786-06-5 Catalog No: AG009WUI MDL No:MFCD18250636
Product Description
Catalog Number:
AG009WUI
Chemical Name:
1-Cyclopentyl-1H-pyrazole-4-boronic acid
CAS Number:
1416786-06-5
Molecular Formula:
C8H13BN2O2
Molecular Weight:
180.0120
MDL Number:
MFCD18250636
IUPAC Name:
(1-cyclopentylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C8H13BN2O2/c12-9(13)7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8,12-13H,1-4H2
InChI Key:
ZDKOFAUNSVRUKJ-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)C1CCCC1)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.107g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.014g/mol
Monoisotopic Mass:
180.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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