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Home > Boronic Acids > 1072945-80-2
1072945-80-2 | (4-cyclopentylpyrimidin-5-yl);boronic acid
CAS No: 1072945-80-2 Catalog No: AG003BVJ MDL No:MFCD10699617
Product Description
Catalog Number:
AG003BVJ
Chemical Name:
(4-cyclopentylpyrimidin-5-yl);boronic acid
CAS Number:
1072945-80-2
Molecular Formula:
C9H13BN2O2
Molecular Weight:
192.0227
MDL Number:
MFCD10699617
IUPAC Name:
(4-cyclopentylpyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C9H13BN2O2/c13-10(14)8-5-11-6-12-9(8)7-3-1-2-4-7/h5-7,13-14H,1-4H2
InChI Key:
YUKOTZWYXJYXSS-UHFFFAOYSA-N
SMILES:
OB(c1cncnc1C1CCCC1)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.107g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.025g/mol
Monoisotopic Mass:
192.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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