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89216-98-8 | 9H-Xanthene-3-carbonyl chloride, 7-(1-methylethoxy)-9-oxo-
CAS No: 89216-98-8 Catalog No: AG0044Q2 MDL No:
Product Description
Catalog Number:
AG0044Q2
Chemical Name:
9H-Xanthene-3-carbonyl chloride, 7-(1-methylethoxy)-9-oxo-
CAS Number:
89216-98-8
Molecular Formula:
C17H13ClO4
Molecular Weight:
316.7357
IUPAC Name:
9-oxo-7-propan-2-yloxyxanthene-3-carbonyl chloride
InChI:
InChI=1S/C17H13ClO4/c1-9(2)21-11-4-6-14-13(8-11)16(19)12-5-3-10(17(18)20)7-15(12)22-14/h3-9H,1-2H3
InChI Key:
JFMIKMBBHNQCFP-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)Cl)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.737g/mol
Monoisotopic Mass:
316.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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