Nitrofurazone-13C,15N2

CAT: 0926-SYB22085-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-SYB22085-01Size:10 mg

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CAS Number

1217220-85-3

MDL Number

MFCD16652529

Smiles

C1=C (OC (=C1) [N+] (=O) [O-]) C=NNC (=O) N

Molecular Formula

C6H6N4O4

Molecular Weight

201.12 g/mol

Controlled

Chemical Information

Nitrofurazone-13C,15N2

CAS Number	1217220-85-3
PubChem CID	46782486
IUPAC Name	[(E)-(5-nitrofuran-2-yl)methylideneamino](13C)urea
Molecular Formula	C6H6N4O4
Molecular Weight	201.12
XLogP	0.2
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	261

SMILES

C1=C(OC(=C1)[N+](=O)[O-])/C=[15N]/[15NH][13C](=O)N

InChI

InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+/i6+1,8+1,9+1

InChIKey

IAIWVQXQOWNYOU-LTGGZAIESA-N

Chemical Structure

2D Structure

CAS: 1217220-85-3

CID: 46782486

Formula: C6H6N4O4

MW: 201.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.12
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	201.03632931
Monoisotopic Mass	201.03632931
Topological Polar Surface Area	126 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	261
Isotope Atom Count	3
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

Catalog	Name
QYB55203-01	Riluzole-13C,15N2
FC31851-01	Cefdinir-15N2,13C
FS137510-01	Semicarbazide-13C,15N2 Hydrochloride
PXB42358-01	5-Fluorouracil-13C,15N2
KFB17980-01	2-Nitrobenzaldehyde semicarbazone 13C,15N2
KGA55255-01	Lamivudine-13C,15N2 S-oxide
80-1522	Nitrofurazone-BSA
80-1523	Nitrofurazone-OVA
CIA40684	Uridine- 13C9, 15N2
PXB69479-01	Zoledronic acid-15N2,13C2

Catalog	Name
CS-W-00160	Nitrofurazone-13C,15N2
D1814-10	Debrisoquin-13C,15N2 (3,4-Dihydro-2 (1H) -isoquinolinecarboximidamide-13C,15N2, Debrisoquine-13C,15N2, Isocaramidine-13C,15N2)
MBS6030260-01	Debrisoquin-13C,15N2 (3,4-Dihydro-2(1H)-isoquinolinecarboximidamide-13C,15N2, Debrisoquine-13C,15N2, Isocaramidine-13C,15N2)
AR-C07192-01	Chlorothiazide-13C,15N2 (Hydrochlorothiazide EP Impurity A-13C,15N2)
CS-I-00532	Pyrimethanil-[13C,15N2]
CS-O-06704	Lamivudine-13C,15N2
CS-O-02881	Cefixime-13C,15N2
CS-O-03343	Allopurinol-13C,15N2
HY-W110148S	Amitrole-13C,15N2
TMIJ-0170-01	Cefdinir-13C-15N2