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Home > Boronic Acids > 6638-70-6
6638-70-6 | (3ar,7as)-2-phenylhexahydro-1,3,2-benzodioxaborole
CAS No: 6638-70-6 Catalog No: AG006MC7 MDL No:
Product Description
Catalog Number:
AG006MC7
Chemical Name:
(3ar,7as)-2-phenylhexahydro-1,3,2-benzodioxaborole
CAS Number:
6638-70-6
Molecular Formula:
C12H15BO2
Molecular Weight:
202.0573
IUPAC Name:
(3aR,7aS)-2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborole
InChI:
InChI=1S/C12H15BO2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12+
InChI Key:
NCNFRQNIFWKJTB-TXEJJXNPSA-N
SMILES:
C1CC[C@H]2[C@@H](C1)OB(O2)c1ccccc1
NSC Number:
48279
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
202.117g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.06g/mol
Monoisotopic Mass:
202.117g/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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