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88302-26-5 | Urea, N-(2-chloro-6-methylphenyl)-N'-1-piperidinyl-
CAS No: 88302-26-5 Catalog No: AG0048QD MDL No:
Product Description
Catalog Number:
AG0048QD
Chemical Name:
Urea, N-(2-chloro-6-methylphenyl)-N'-1-piperidinyl-
CAS Number:
88302-26-5
Molecular Formula:
C13H18ClN3O
Molecular Weight:
267.7545
IUPAC Name:
1-(2-chloro-6-methylphenyl)-3-piperidin-1-ylurea
InChI:
InChI=1S/C13H18ClN3O/c1-10-6-5-7-11(14)12(10)15-13(18)16-17-8-3-2-4-9-17/h5-7H,2-4,8-9H2,1H3,(H2,15,16,18)
InChI Key:
OTJUJUGQSKSTDK-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)cccc1Cl)NN1CCCCC1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.757g/mol
Monoisotopic Mass:
267.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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