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13140-89-1 | Urea, N-cyclopentyl-N'-phenyl-
CAS No: 13140-89-1 Catalog No: AG000W4K MDL No:MFCD00707306
Product Description
Catalog Number:
AG000W4K
Chemical Name:
Urea, N-cyclopentyl-N'-phenyl-
CAS Number:
13140-89-1
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD00707306
IUPAC Name:
1-cyclopentyl-3-phenylurea
InChI:
InChI=1S/C12H16N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,13,14,15)
InChI Key:
KODZEKGCUPWVLU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NC1CCCC1
NSC Number:
131956
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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