Structure

5-Nitrouracil

CAS
611-08-5
Catalog Number
ACM611085-2
Category
Organic & Printed Electronics
Molecular Weight
157.09
Molecular Formula
C4H3N3O4

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Specification

Description
Alfa Chemistry offers high-purity 5-Nitrouracil products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
Synonyms
2,4-DIHYDROXY-5-NITROPYRIMIDINE;2,4(1H,3H)-PYRIMIDINEDIONE-5-NITRO;5-NITRO-2,4-PYRIMIDINEDIOL;5-NITRO-2,4-DIHYDROXYPYRIMIDINE;5-NITROPYRIMIDINE-2,4(1H,3H)-DIONE;5-NITROPYRIMIDINE-2,4-DIOL;5-NITROURACIL;NITROURACIL
IUPAC Name
5-nitro-1H-pyrimidine-2,4-dione
Canonical SMILES
C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]
InChI
InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)
InChI Key
TUARVSWVPPVUGS-UHFFFAOYSA-N
Solubility
(in hot Water) almost transparency
Appearance
White to Light yellow powder to crystal
Application
Nonlinear optical materials may be important for large-capacity communications, because further application of this material may provide a device in an all optical system.
Complexity
263
Covalently-Bonded Unit Count
1
EC Number
210-250-4
Exact Mass
157.012356g/mol
Features And Benefits
Nonlinear optical materials efficiently exhibit nonlinear optical phenomena, which are conversion of light wavelength, amplification of light, and conversion of the refractive index depending on optical intensity.
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
11
MDL Number
MFCD00006021
Monoisotopic Mass
157.012356g/mol
NSC Number
9790
Physical State
(20 deg.C) Solid
Rotatable Bond Count
0
Storage Conditions
Store at room temperature and dry
XLogP3
-1
What is the PubChem CID of 5-Nitrouracil?

PubChem CID 69135.

What is the molecular formula of 5-Nitrouracil?

The molecular formula is C4H3N3O4.

What is the molecular weight of 5-Nitrouracil?

The molecular weight is 157.08 g/mol.

What is the IUPAC name of 5-Nitrouracil?

The IUPAC name is 5-nitro-1H-pyrimidine-2,4-dione.

What is the InChI of 5-Nitrouracil?

The InChI is InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9).

What is the InChIKey of 5-Nitrouracil?

The InChIKey is TUARVSWVPPVUGS-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Nitrouracil?

The canonical SMILES is C1=C(C(=O)NC(=O)N1)[N+](=O)[O-].

What is the CAS number of 5-Nitrouracil?

The CAS number is 611-08-5.

What is the European Community (EC) number of 5-Nitrouracil?

The EC number is 210-250-4.

What is the complexity of 5-Nitrouracil?

The complexity is 263.

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