5-Nitrofuran-2-carbohydrazide

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CAS Number

5469-78-3

MDL Number

MFCD00179297

Smiles

NNC (=O) c1oc (cc1) [N+] (=O) [O-]

Chemical Information

2-Furancarboxylic acid, 5-nitro-, hydrazide

CAS Number	5469-78-3
PubChem CID	3713598
IUPAC Name	5-nitrofuran-2-carbohydrazide
Molecular Formula	C5H5N3O4
Molecular Weight	171.11
XLogP	0
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	201

SMILES

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

InChI

InChI=1S/C5H5N3O4/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9)

InChIKey

HRYYAHKXNSUDFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5469-78-3

CID: 3713598

Formula: C5H5N3O4

MW: 171.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.11
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	171.02800565
Monoisotopic Mass	171.02800565
Topological Polar Surface Area	114 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1027264-01	2- (Bromomethyl) -5-Nitrofuran
OR937994-01	2-Bromo-5-nitrofuran
OR1101405-01	Ethyl 5-Nitrofuran-2-Carboxylate
OR1021839	5-Nitrofuran-2-acrylic acid
OR27281	5-Nitrofuran-2-carbonyl chloride
OR1061039-01	5-Chlorobenzofuran-2-carbohydrazide
OR1011839-01	5-Bromothiophene-2-Carbohydrazide
OR311032	1- (5-Nitrofuran-2-carbonyl) piperidine
OR26112	2- (2-bromoprop-1-enyl) -5-nitrofuran
OR1025449-01	N- (4-Iodophenyl) -5-Nitrofuran-2-Carboxamide

Catalog	Name
sc-357059A	5-Nitrofuran-2-carbohydrazide
sc-262698	5-Nitrofuran-2-carbonitrile
sc-486892	2-Bromo-5-nitrofuran
FB34549-01	2- (Bromomethyl) -5-nitrofuran
AR-N01524-01	2- (diethoxymethyl) -5-nitrofuran
sc-340887A	2-[2-bromovinyl]-5-nitrofuran
TRC-N493840-50MG	2-Nitrofuran
XAA42765-01	Benzyl 5-nitrofuran-2-carboxylate
AR-N01519-01	5-nitrofuran-2-carboxylic acid
JH226103	5-nitrofuran-2-carbonyl chloride