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6268-43-5 | 1,3-di-2-pyridylurea
CAS No: 6268-43-5 Catalog No: AG00ELF6 MDL No:MFCD00233705
Product Description
Catalog Number:
AG00ELF6
Chemical Name:
1,3-di-2-pyridylurea
CAS Number:
6268-43-5
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
MDL Number:
MFCD00233705
IUPAC Name:
1,3-dipyridin-2-ylurea
InChI:
InChI=1S/C11H10N4O/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)
InChI Key:
FOQXHWCMYZXOGZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccn1)Nc1ccccn1
EC Number:
228-442-1
UNII:
L4Z49NN63K
NSC Number:
36257
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| A new quadruple hydrogen-bonding module based on five-membered heterocyclic urea structure. | Organic letters 20100416 |
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