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10230-34-9 | Phenoxathiin, 2-chloro-
CAS No: 10230-34-9 Catalog No: AG00075M MDL No:
Product Description
Catalog Number:
AG00075M
Chemical Name:
Phenoxathiin, 2-chloro-
CAS Number:
10230-34-9
Molecular Formula:
C12H7ClOS
Molecular Weight:
234.7014
IUPAC Name:
2-chlorophenoxathiine
InChI:
InChI=1S/C12H7ClOS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7H
InChI Key:
QQGJRVZIBGEUGZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)Sc1c(O2)cccc1
NSC Number:
179813
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.697g/mol
Monoisotopic Mass:
233.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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