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102433-06-7 | Urea, N-(cyanomethyl)-N'-1-naphthalenyl-
CAS No: 102433-06-7 Catalog No: AG0007FN MDL No:
Product Description
Catalog Number:
AG0007FN
Chemical Name:
Urea, N-(cyanomethyl)-N'-1-naphthalenyl-
CAS Number:
102433-06-7
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
1-(cyanomethyl)-3-naphthalen-1-ylurea
InChI:
InChI=1S/C13H11N3O/c14-8-9-15-13(17)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,9H2,(H2,15,16,17)
InChI Key:
CXARBRPTZKQICA-UHFFFAOYSA-N
SMILES:
N#CCNC(=O)Nc1cccc2c1cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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