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102613-47-8 | Urea, N-(2,2-dimethylpropyl)-N'-1-naphthalenyl-
CAS No: 102613-47-8 Catalog No: AG0007XW MDL No:
Product Description
Catalog Number:
AG0007XW
Chemical Name:
Urea, N-(2,2-dimethylpropyl)-N'-1-naphthalenyl-
CAS Number:
102613-47-8
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
1-(2,2-dimethylpropyl)-3-naphthalen-1-ylurea
InChI:
InChI=1S/C16H20N2O/c1-16(2,3)11-17-15(19)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,11H2,1-3H3,(H2,17,18,19)
InChI Key:
NOVXUXAQJUJFBG-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1cccc2)NCC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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