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100757-73-1 | Borinic acid, B-butyl-B-phenyl-
CAS No: 100757-73-1 Catalog No: AG0002TU MDL No:
Product Description
Catalog Number:
AG0002TU
Chemical Name:
Borinic acid, B-butyl-B-phenyl-
CAS Number:
100757-73-1
Molecular Formula:
C10H15BO
Molecular Weight:
162.0365
IUPAC Name:
hydroxy(4-phenylbutyl)boron
InChI:
InChI=1S/C10H14BO/c12-11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChI Key:
JBIFQISDEUDMFP-UHFFFAOYSA-N
SMILES:
CCCCB(c1ccccc1)O
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.114g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.031g/mol
Monoisotopic Mass:
161.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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