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100204-56-6 | 1,3,5,2-Dioxaphosphaborinane, 2,5-diphenyl-4,6-bis(trichloromethyl)-
CAS No: 100204-56-6 Catalog No: AG00018T MDL No:
Product Description
Catalog Number:
AG00018T
Chemical Name:
1,3,5,2-Dioxaphosphaborinane, 2,5-diphenyl-4,6-bis(trichloromethyl)-
CAS Number:
100204-56-6
Molecular Formula:
C16H12BCl6O2P
Molecular Weight:
490.7680
IUPAC Name:
2,5-diphenyl-4,6-bis(trichloromethyl)-1,3,5,2-dioxaphosphaborinane
InChI:
InChI=1S/C16H12BCl6O2P/c18-15(19,20)13-24-17(11-7-3-1-4-8-11)25-14(16(21,22)23)26(13)12-9-5-2-6-10-12/h1-10,13-14H
InChI Key:
BOYVWPXFOKSQBL-UHFFFAOYSA-N
SMILES:
ClC(C1OB(OC(P1c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1)(Cl)Cl
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.877g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.754g/mol
Monoisotopic Mass:
487.88g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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