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102613-46-7 | Urea, N-(2,2-diethoxyethyl)-N'-1-naphthalenyl-
CAS No: 102613-46-7 Catalog No: AG0007XX MDL No:
Product Description
Catalog Number:
AG0007XX
Chemical Name:
Urea, N-(2,2-diethoxyethyl)-N'-1-naphthalenyl-
CAS Number:
102613-46-7
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
1-(2,2-diethoxyethyl)-3-naphthalen-1-ylurea
InChI:
InChI=1S/C17H22N2O3/c1-3-21-16(22-4-2)12-18-17(20)19-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,3-4,12H2,1-2H3,(H2,18,19,20)
InChI Key:
IETDEZATHQJICJ-UHFFFAOYSA-N
SMILES:
CCOC(CNC(=O)Nc1cccc2c1cccc2)OCC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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