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77125-92-9 | 9H-Xanthen-9-one, chloro-
CAS No: 77125-92-9 Catalog No: AG005EDA MDL No:
Product Description
Catalog Number:
AG005EDA
Chemical Name:
9H-Xanthen-9-one, chloro-
CAS Number:
77125-92-9
Molecular Formula:
C13H7ClO2
Molecular Weight:
230.6465
IUPAC Name:
1-chloroxanthen-9-one
InChI:
InChI=1S/C13H7ClO2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H
InChI Key:
HVCQSNXTTXPIAD-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1c(=O)c1c(o2)cccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.647g/mol
Monoisotopic Mass:
230.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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