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89736-61-8 | Carbamic acid, acetyl(2-chlorooctyl)-, ethyl ester
CAS No: 89736-61-8 Catalog No: AG0041M6 MDL No:
Product Description
Catalog Number:
AG0041M6
Chemical Name:
Carbamic acid, acetyl(2-chlorooctyl)-, ethyl ester
CAS Number:
89736-61-8
Molecular Formula:
C13H24ClNO3
Molecular Weight:
277.7876
IUPAC Name:
ethyl N-acetyl-N-(2-chlorooctyl)carbamate
InChI:
InChI=1S/C13H24ClNO3/c1-4-6-7-8-9-12(14)10-15(11(3)16)13(17)18-5-2/h12H,4-10H2,1-3H3
InChI Key:
TXRDVODDGVFLKK-UHFFFAOYSA-N
SMILES:
CCCCCCC(CN(C(=O)OCC)C(=O)C)Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.144g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.789g/mol
Monoisotopic Mass:
277.144g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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