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137653-89-5 | 9H-Xanthen-9-one, 7-chloro-1,2,3,4-tetrahydro-
CAS No: 137653-89-5 Catalog No: AG0013OI MDL No:
Product Description
Catalog Number:
AG0013OI
Chemical Name:
9H-Xanthen-9-one, 7-chloro-1,2,3,4-tetrahydro-
CAS Number:
137653-89-5
Molecular Formula:
C13H11ClO2
Molecular Weight:
234.6782
IUPAC Name:
7-chloro-1,2,3,4-tetrahydroxanthen-9-one
InChI:
InChI=1S/C13H11ClO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2
InChI Key:
UEMLVMMSMNDINM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c1c(o2)CCCC1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.679g/mol
Monoisotopic Mass:
234.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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