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Home > Boronic Acids > 1072945-78-8
1072945-78-8 | (4-Butylpyrimidin-5-yl)boronic acid
CAS No: 1072945-78-8 Catalog No: AG003L1N MDL No:MFCD10699616
Product Description
Catalog Number:
AG003L1N
Chemical Name:
(4-Butylpyrimidin-5-yl)boronic acid
CAS Number:
1072945-78-8
Molecular Formula:
C8H13BN2O2
Molecular Weight:
180.0120
MDL Number:
MFCD10699616
IUPAC Name:
(4-butylpyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C8H13BN2O2/c1-2-3-4-8-7(9(12)13)5-10-6-11-8/h5-6,12-13H,2-4H2,1H3
InChI Key:
IJENVCJCQXKSEF-UHFFFAOYSA-N
SMILES:
CCCCc1ncncc1B(O)O
Properties
Complexity:
146
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.014g/mol
Monoisotopic Mass:
180.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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