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7598-59-6 | ETHYL 3-BUTYLIMINO-2,2-DICHLORO-PROPANOATE
CAS No: 7598-59-6 Catalog No: AG005GTE MDL No:
Product Description
Catalog Number:
AG005GTE
Chemical Name:
ETHYL 3-BUTYLIMINO-2,2-DICHLORO-PROPANOATE
CAS Number:
7598-59-6
Molecular Formula:
C9H15Cl2NO2
Molecular Weight:
240.1269
IUPAC Name:
ethyl 3-butylimino-2,2-dichloropropanoate
InChI:
InChI=1S/C9H15Cl2NO2/c1-3-5-6-12-7-9(10,11)8(13)14-4-2/h7H,3-6H2,1-2H3
InChI Key:
XMRKEKYCPSNAPK-UHFFFAOYSA-N
SMILES:
CCCCN=CC(C(=O)OCC)(Cl)Cl
NSC Number:
407842
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.124g/mol
Monoisotopic Mass:
239.048g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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