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13142-48-8 | Urea, N-(3,4-dichlorophenyl)-N'-3-pyridinyl-
CAS No: 13142-48-8 Catalog No: AG000W5E MDL No:
Product Description
Catalog Number:
AG000W5E
Chemical Name:
Urea, N-(3,4-dichlorophenyl)-N'-3-pyridinyl-
CAS Number:
13142-48-8
Molecular Formula:
C12H9Cl2N3O
Molecular Weight:
282.1254
IUPAC Name:
1-(3,4-dichlorophenyl)-3-pyridin-3-ylurea
InChI:
InChI=1S/C12H9Cl2N3O/c13-10-4-3-8(6-11(10)14)16-12(18)17-9-2-1-5-15-7-9/h1-7H,(H2,16,17,18)
InChI Key:
XJNYDCGOJJLPLU-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccnc1)Nc1ccc(c(c1)Cl)Cl
NSC Number:
81858
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.124g/mol
Monoisotopic Mass:
281.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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