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Home > Nitro Compounds > 2273-04-3
2273-04-3 | (2-nitrophenyl)urea
CAS No: 2273-04-3 Catalog No: AG019WFB MDL No:MFCD00060610
Product Description
Catalog Number:
AG019WFB
Chemical Name:
(2-nitrophenyl)urea
CAS Number:
2273-04-3
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
MDL Number:
MFCD00060610
IUPAC Name:
(2-nitrophenyl)urea
InChI:
InChI=1S/C7H7N3O3/c8-7(11)9-5-3-1-2-4-6(5)10(12)13/h1-4H,(H3,8,9,11)
InChI Key:
OEZUXIKLRGSNBT-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine series. | BMC structural biology 20110101 |
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