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4406-77-3 | 2-Phenyl-1,3,2-dioxaborinane
CAS No: 4406-77-3 Catalog No: AG003HUR MDL No:MFCD00075228
Product Description
Catalog Number:
AG003HUR
Chemical Name:
2-Phenyl-1,3,2-dioxaborinane
CAS Number:
4406-77-3
Molecular Formula:
C9H11BO2
Molecular Weight:
161.9934
MDL Number:
MFCD00075228
IUPAC Name:
2-phenyl-1,3,2-dioxaborinane
InChI:
InChI=1S/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2
InChI Key:
QLWMDSAMEIJLQB-UHFFFAOYSA-N
SMILES:
C1COB(OC1)c1ccccc1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.995g/mol
Monoisotopic Mass:
162.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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