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117398-00-2 | Acetic acid, 2-[(chlorooxy)imino]-, methyl ester
CAS No: 117398-00-2 Catalog No: AG000E7K MDL No:
Product Description
Catalog Number:
AG000E7K
Chemical Name:
Acetic acid, 2-[(chlorooxy)imino]-, methyl ester
CAS Number:
117398-00-2
Molecular Formula:
C3H4ClNO3
Molecular Weight:
137.5218
IUPAC Name:
methyl 2-chlorooxyiminoacetate
InChI:
InChI=1S/C3H4ClNO3/c1-7-3(6)2-5-8-4/h2H,1H3
InChI Key:
IPVRBAIGPJPPHM-UHFFFAOYSA-N
SMILES:
ClON=CC(=O)OC
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.988g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.519g/mol
Monoisotopic Mass:
136.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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