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13908-21-9 | Cyclohexanecarboxylic acid, 1-[[[(2-chloroethyl)amino]carbonyl]amino]-, ethyl ester
CAS No: 13908-21-9 Catalog No: AG001A6F MDL No:
Product Description
Catalog Number:
AG001A6F
Chemical Name:
Cyclohexanecarboxylic acid, 1-[[[(2-chloroethyl)amino]carbonyl]amino]-, ethyl ester
CAS Number:
13908-21-9
Molecular Formula:
C12H21ClN2O3
Molecular Weight:
276.7597
IUPAC Name:
ethyl 1-(2-chloroethylcarbamoylamino)cyclohexane-1-carboxylate
InChI:
InChI=1S/C12H21ClN2O3/c1-2-18-10(16)12(6-4-3-5-7-12)15-11(17)14-9-8-13/h2-9H2,1H3,(H2,14,15,17)
InChI Key:
YRNQNLYSXJVKEG-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NC1(CCCCC1)C(=O)OCC
NSC Number:
95447
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.761g/mol
Monoisotopic Mass:
276.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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