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142229-69-4 | Acetic acid, 2-[(chlorothio)cyclopropylamino]-2-oxo-, ethyl ester
CAS No: 142229-69-4 Catalog No: AG001I00 MDL No:
Product Description
Catalog Number:
AG001I00
Chemical Name:
Acetic acid, 2-[(chlorothio)cyclopropylamino]-2-oxo-, ethyl ester
CAS Number:
142229-69-4
Molecular Formula:
C7H10ClNO3S
Molecular Weight:
223.6772
IUPAC Name:
ethyl 2-[chlorosulfanyl(cyclopropyl)amino]-2-oxoacetate
InChI:
InChI=1S/C7H10ClNO3S/c1-2-12-7(11)6(10)9(13-8)5-3-4-5/h5H,2-4H2,1H3
InChI Key:
NRJVNCROCPKORJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)N(C1CC1)SCl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.671g/mol
Monoisotopic Mass:
223.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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