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89192-81-4

89192-81-4 | Hydroperoxide, 3-chloro-9-phenyl-9H-xanthen-9-yl

CAS No: 89192-81-4 Catalog No: AG003VPS MDL No:

Product Description

Catalog Number:
AG003VPS
Chemical Name:
Hydroperoxide, 3-chloro-9-phenyl-9H-xanthen-9-yl
CAS Number:
89192-81-4
Molecular Formula:
C19H13ClO3
Molecular Weight:
324.7577
IUPAC Name:
3-chloro-9-hydroperoxy-9-phenylxanthene
InChI:
InChI=1S/C19H13ClO3/c20-14-10-11-16-18(12-14)22-17-9-5-4-8-15(17)19(16,23-21)13-6-2-1-3-7-13/h1-12,21H
InChI Key:
NORZHEJYGKYYFE-UHFFFAOYSA-N
SMILES:
OOC1(c2ccccc2)c2ccc(cc2Oc2c1cccc2)Cl

Properties

Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.055g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.76g/mol
Monoisotopic Mass:
324.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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