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82052-08-2 | Diazenecarboxylic acid, (chlorocarbonyl)-, ethyl ester
CAS No: 82052-08-2 Catalog No: AG005CMC MDL No:
Product Description
Catalog Number:
AG005CMC
Chemical Name:
Diazenecarboxylic acid, (chlorocarbonyl)-, ethyl ester
CAS Number:
82052-08-2
Molecular Formula:
C4H5ClN2O3
Molecular Weight:
164.5471
IUPAC Name:
ethyl N-carbonochloridoyliminocarbamate
InChI:
InChI=1S/C4H5ClN2O3/c1-2-10-4(9)7-6-3(5)8/h2H2,1H3
InChI Key:
YQTMHEKHHXCNPP-UHFFFAOYSA-N
SMILES:
CCOC(=O)N=NC(=O)Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.545g/mol
Monoisotopic Mass:
163.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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