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878675-68-4 | Propanoic acid, 2-chloro-, 1-pyrenyl ester
CAS No: 878675-68-4 Catalog No: AG004IWL MDL No:
Product Description
Catalog Number:
AG004IWL
Chemical Name:
Propanoic acid, 2-chloro-, 1-pyrenyl ester
CAS Number:
878675-68-4
Molecular Formula:
C19H13ClO2
Molecular Weight:
308.7583
IUPAC Name:
pyren-1-yl 2-chloropropanoate
InChI:
InChI=1S/C19H13ClO2/c1-11(20)19(21)22-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-11H,1H3
InChI Key:
FWHGYLVFIBTUKV-UHFFFAOYSA-N
SMILES:
CC(C(=O)Oc1ccc2c3c1ccc1c3c(cc2)ccc1)Cl
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.761g/mol
Monoisotopic Mass:
308.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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