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163517-56-4 | 1,3,2-Dioxaborinane, 2-(2-methylphenyl)-
CAS No: 163517-56-4 Catalog No: AG001U67 MDL No:MFCD06659935
Product Description
Catalog Number:
AG001U67
Chemical Name:
1,3,2-Dioxaborinane, 2-(2-methylphenyl)-
CAS Number:
163517-56-4
Molecular Formula:
C10H13BO2
Molecular Weight:
176.0200
MDL Number:
MFCD06659935
IUPAC Name:
2-(2-methylphenyl)-1,3,2-dioxaborinane
InChI:
InChI=1S/C10H13BO2/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
UIDYFYHQHHMEKA-UHFFFAOYSA-N
SMILES:
Cc1ccccc1B1OCCCO1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.022g/mol
Monoisotopic Mass:
176.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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