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13908-86-6 | Urea, N-(2-bromoethyl)-N'-cyclohexyl-
CAS No: 13908-86-6 Catalog No: AG001A7W MDL No:
Product Description
Catalog Number:
AG001A7W
Chemical Name:
Urea, N-(2-bromoethyl)-N'-cyclohexyl-
CAS Number:
13908-86-6
Molecular Formula:
C9H17BrN2O
Molecular Weight:
249.1481
IUPAC Name:
1-(2-bromoethyl)-3-cyclohexylurea
InChI:
InChI=1S/C9H17BrN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,12,13)
InChI Key:
NWTAMLVOXNRJSB-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)NC1CCCCC1
NSC Number:
81699
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.152g/mol
Monoisotopic Mass:
248.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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