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Home > Boronic Acids > 1443112-54-6
1443112-54-6 | (1-Cyclobutylpyrazol-4-yl)boronic acid
CAS No: 1443112-54-6 Catalog No: AG00AQH4 MDL No:MFCD18904604
Product Description
Catalog Number:
AG00AQH4
Chemical Name:
(1-Cyclobutylpyrazol-4-yl)boronic acid
CAS Number:
1443112-54-6
Molecular Formula:
C7H11BN2O2
Molecular Weight:
165.9854
MDL Number:
MFCD18904604
IUPAC Name:
(1-cyclobutylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C7H11BN2O2/c11-8(12)6-4-9-10(5-6)7-2-1-3-7/h4-5,7,11-12H,1-3H2
InChI Key:
BCJHUJINKCSWQE-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)C1CCC1)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.987g/mol
Monoisotopic Mass:
166.091g/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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