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261895-98-1 | Acetic acid, 2-chloro-, 4-(1,1-dioxido-4-thiomorpholinyl)phenyl ester
CAS No: 261895-98-1 Catalog No: AG002S48 MDL No:
Product Description
Catalog Number:
AG002S48
Chemical Name:
Acetic acid, 2-chloro-, 4-(1,1-dioxido-4-thiomorpholinyl)phenyl ester
CAS Number:
261895-98-1
Molecular Formula:
C12H14ClNO4S
Molecular Weight:
303.7619
IUPAC Name:
[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl] 2-chloroacetate
InChI:
InChI=1S/C12H14ClNO4S/c13-9-12(15)18-11-3-1-10(2-4-11)14-5-7-19(16,17)8-6-14/h1-4H,5-9H2
InChI Key:
IUQWYGWGGZVEBR-UHFFFAOYSA-N
SMILES:
ClCC(=O)Oc1ccc(cc1)N1CCS(=O)(=O)CC1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.757g/mol
Monoisotopic Mass:
303.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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