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178685-06-8 | 9H-Xanthene, 4-(iodomethyl)-
CAS No: 178685-06-8 Catalog No: AG00268A MDL No:
Product Description
Catalog Number:
AG00268A
Chemical Name:
9H-Xanthene, 4-(iodomethyl)-
CAS Number:
178685-06-8
Molecular Formula:
C14H11IO
Molecular Weight:
322.1410
IUPAC Name:
4-(iodomethyl)-9H-xanthene
InChI:
InChI=1S/C14H11IO/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12/h1-7H,8-9H2
InChI Key:
FXDOYEMUNQSHCW-UHFFFAOYSA-N
SMILES:
ICc1cccc2c1Oc1ccccc1C2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.145g/mol
Monoisotopic Mass:
321.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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