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89323-62-6 | Acetic acid, [(chlorocarbonyl)thio]-, ethyl ester
CAS No: 89323-62-6 Catalog No: AG003YHW MDL No:MFCD28361459
Product Description
Catalog Number:
AG003YHW
Chemical Name:
Acetic acid, [(chlorocarbonyl)thio]-, ethyl ester
CAS Number:
89323-62-6
Molecular Formula:
C5H7ClO3S
Molecular Weight:
182.6253
MDL Number:
MFCD28361459
IUPAC Name:
ethyl 2-carbonochloridoylsulfanylacetate
InChI:
InChI=1S/C5H7ClO3S/c1-2-9-4(7)3-10-5(6)8/h2-3H2,1H3
InChI Key:
SZFSEVRQFLHYPL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSC(=O)Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.98g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.618g/mol
Monoisotopic Mass:
181.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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