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Home > Boronic Acids > 444885-09-0
444885-09-0 | (2-methylbutyl)boronic acid
CAS No: 444885-09-0 Catalog No: AG01B259 MDL No:MFCD18861700
Product Description
Catalog Number:
AG01B259
Chemical Name:
(2-methylbutyl)boronic acid
CAS Number:
444885-09-0
Molecular Formula:
C5H13BO2
Molecular Weight:
115.9665
MDL Number:
MFCD18861700
IUPAC Name:
2-methylbutylboronic acid
InChI:
InChI=1S/C5H13BO2/c1-3-5(2)4-6(7)8/h5,7-8H,3-4H2,1-2H3
InChI Key:
NGHJHHWXNRSHSI-UHFFFAOYSA-N
SMILES:
CCC(CB(O)O)C
Properties
Complexity:
56.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.101g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
115.967g/mol
Monoisotopic Mass:
116.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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