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Home > Nitro Compounds > 339111-28-3
339111-28-3 | 1-(4-methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea
CAS No: 339111-28-3 Catalog No: AG00IZ3E MDL No:MFCD00974368
Product Description
Catalog Number:
AG00IZ3E
Chemical Name:
1-(4-methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea
CAS Number:
339111-28-3
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
MDL Number:
MFCD00974368
IUPAC Name:
1-(4-methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea
InChI:
InChI=1S/C16H17N3O3/c1-12-6-8-14(9-7-12)17-16(20)18-15-5-3-2-4-13(15)10-11-19(21)22/h2-9H,10-11H2,1H3,(H2,17,18,20)
InChI Key:
GIANPWPOHJUDAJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1CC[N+](=O)[O-])Nc1ccc(cc1)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.33g/mol
Monoisotopic Mass:
299.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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