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100821-63-4 | Carbonic acid, 9H-fluoren-9-ylmethyl 1,2,2,2-tetrachloroethyl ester
CAS No: 100821-63-4 Catalog No: AG0002YH MDL No:
Product Description
Catalog Number:
AG0002YH
Chemical Name:
Carbonic acid, 9H-fluoren-9-ylmethyl 1,2,2,2-tetrachloroethyl ester
CAS Number:
100821-63-4
Molecular Formula:
C17H12Cl4O3
Molecular Weight:
406.0874
IUPAC Name:
9H-fluoren-9-ylmethyl 1,2,2,2-tetrachloroethyl carbonate
InChI:
InChI=1S/C17H12Cl4O3/c18-15(17(19,20)21)24-16(22)23-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2
InChI Key:
ZXIDFBXCWNYRSS-UHFFFAOYSA-N
SMILES:
O=C(OC(C(Cl)(Cl)Cl)Cl)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.951g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.08g/mol
Monoisotopic Mass:
403.954g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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