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20077-10-5 | 9H-Thioxanthen-9-one, 2-bromo-
CAS No: 20077-10-5 Catalog No: AG002CXW MDL No:
Product Description
Catalog Number:
AG002CXW
Chemical Name:
9H-Thioxanthen-9-one, 2-bromo-
CAS Number:
20077-10-5
Molecular Formula:
C13H7BrOS
Molecular Weight:
291.1631
IUPAC Name:
2-bromothioxanthen-9-one
InChI:
InChI=1S/C13H7BrOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChI Key:
XOYDXFFMXDJBQU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)c1c(s2)cccc1
NSC Number:
252143
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.94g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.162g/mol
Monoisotopic Mass:
289.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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