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114364-48-6 | 1,3-Oxathiolane, 5-(4-chlorophenyl)- (9CI)
CAS No: 114364-48-6 Catalog No: AG000B6N MDL No:
Product Description
Catalog Number:
AG000B6N
Chemical Name:
1,3-Oxathiolane, 5-(4-chlorophenyl)- (9CI)
CAS Number:
114364-48-6
Molecular Formula:
C9H9ClOS
Molecular Weight:
200.6852
IUPAC Name:
5-(4-chlorophenyl)-1,3-oxathiolane
InChI:
InChI=1S/C9H9ClOS/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-4,9H,5-6H2
InChI Key:
QKDLIUOIYKCLRW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1OCSC1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.68g/mol
Monoisotopic Mass:
200.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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