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102434-05-9 | Urea, N-1,3-benzodioxol-5-yl-N'-(2,6-dimethylphenyl)-
CAS No: 102434-05-9 Catalog No: AG0007HC MDL No:
Product Description
Catalog Number:
AG0007HC
Chemical Name:
Urea, N-1,3-benzodioxol-5-yl-N'-(2,6-dimethylphenyl)-
CAS Number:
102434-05-9
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea
InChI:
InChI=1S/C16H16N2O3/c1-10-4-3-5-11(2)15(10)18-16(19)17-12-6-7-13-14(8-12)21-9-20-13/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChI Key:
AQNRLAMITQQAKZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C)cccc1C)Nc1ccc2c(c1)OCO2
NSC Number:
162207
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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