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82261-44-7 | 1,1-dimethyl-3-(4-pyridin-3-ylphenyl)urea
CAS No: 82261-44-7 Catalog No: AG0055ZH MDL No:
Product Description
Catalog Number:
AG0055ZH
Chemical Name:
1,1-dimethyl-3-(4-pyridin-3-ylphenyl)urea
CAS Number:
82261-44-7
Molecular Formula:
C14H15N3O
Molecular Weight:
241.2884
IUPAC Name:
1,1-dimethyl-3-(4-pyridin-3-ylphenyl)urea
InChI:
InChI=1S/C14H15N3O/c1-17(2)14(18)16-13-7-5-11(6-8-13)12-4-3-9-15-10-12/h3-10H,1-2H3,(H,16,18)
InChI Key:
PQTLXBSFUGXELF-UHFFFAOYSA-N
SMILES:
CN(C(=O)Nc1ccc(cc1)c1cccnc1)C
NSC Number:
376917
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.294g/mol
Monoisotopic Mass:
241.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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