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88092-52-8 | Undecanoic acid, 10-chloro-11-(nitroimino)-, methyl ester
CAS No: 88092-52-8 Catalog No: AG004GWG MDL No:
Product Description
Catalog Number:
AG004GWG
Chemical Name:
Undecanoic acid, 10-chloro-11-(nitroimino)-, methyl ester
CAS Number:
88092-52-8
Molecular Formula:
C12H21ClN2O4
Molecular Weight:
292.7591
IUPAC Name:
methyl 10-chloro-11-nitroiminoundecanoate
InChI:
InChI=1S/C12H21ClN2O4/c1-19-12(16)9-7-5-3-2-4-6-8-11(13)10-14-15(17)18/h10-11H,2-9H2,1H3
InChI Key:
URSBBAKVLDTOKM-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCC(C=N[N+](=O)[O-])Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.76g/mol
Monoisotopic Mass:
292.119g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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