2-Nitrobenzaldehyde Semicarbazone

CAT: 0931-T39065-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T39065-01Size:1 mg

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CAS Number

16004-43-6

Target

Others, Antibiotic

Related Pathways

Microbiology/Virology, Others

Bioactivity

2-Nitrobenzaldehyde Semicarbazone is a metabolite marker for the detection of Nitrofurazone, a highly restricted antibiotic. This compound, derived from Semicarbazide, exhibits significant potential in identifying the presence of Nitrofurazone.

Smiles

NC(=O)N\N=C\C1=C(C=CC=C1)[N+]([O-])=O

Molecular Formula

C8H8N4O3

Molecular Weight

208.17

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-Nitrobenzaldehyde semicarbazone

CAS Number	16004-43-6
PubChem CID	6870110
IUPAC Name	[(E)-(2-nitrophenyl)methylideneamino]urea
Molecular Formula	C8H8N4O3
Molecular Weight	208.17
XLogP	1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	274

SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C8H8N4O3/c9-8(13)11-10-5-6-3-1-2-4-7(6)12(14)15/h1-5H,(H3,9,11,13)/b10-5+

InChIKey

OEOKLBSECDAYSM-BJMVGYQFSA-N

Chemical Structure

2D Structure

CAS: 16004-43-6

CID: 6870110

Formula: C8H8N4O3

MW: 208.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	208.17
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	208.05964013
Monoisotopic Mass	208.05964013
Topological Polar Surface Area	113 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5799613	2-Nitrobenzaldehyde Semicarbazone
HY-138538R	2-Nitrobenzaldehyde Semicarbazone (Standard)
KFB17980-01	2-Nitrobenzaldehyde semicarbazone 13C,15N2
TRC-N492152-25MG	2-Nitrobenzaldehyde Semicarbazone-13C,15N2
sc-288265	2-Nitrobenzaldehyde semicarbazone-13C, 15N2
TRC-N188282-100MG	2-Nitrobenzaldehyde Semicarbazone-13C-1,2-15N2
HY-138538S-01	2-Nitrobenzaldehyde semicarbazone-13C,15N2-1
421072-01	2'-Chloroacetophenone semicarbazone
421167-01	2'-Hydroxyacetophenone semicarbazone
sc-274882	2-hydroxybenzaldehyde semicarbazone

2-Nitrobenzaldehyde Semicarbazone

Chemical Information

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