N'-Hydroxy-4-nitrobenzenecarboximidamide

CAT: 0127-OR110903Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR110903Size:5 g

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CAS Number

1613-86-1

MDL Number

MFCD00465738

Purity

=95%

Smiles

N\C(=N/O)\c1ccc(cc1)[N+](=O)[O-]

Chemical Information

4-Nitrobenzamidoxime

CAS Number	1613-86-1
PubChem CID	9582953
IUPAC Name	N'-hydroxy-4-nitrobenzenecarboximidamide
Molecular Formula	C7H7N3O3
Molecular Weight	181.15
XLogP	1.4
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	216

SMILES

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

InChI

InChI=1S/C7H7N3O3/c8-7(9-11)5-1-3-6(4-2-5)10(12)13/h1-4,11H,(H2,8,9)

InChIKey

SRNSBDNIAKCXGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1613-86-1

CID: 9582953

Formula: C7H7N3O3

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	181.04874109
Monoisotopic Mass	181.04874109
Topological Polar Surface Area	104 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216
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

Catalog	Name
OR1003878-01	N'-Hydroxy-4- (4-methoxyphenoxy) -3-nitrobenzenecarboximidamide
OR25214	4- (4,5-dichloro-1H-imidazol-1-yl) -N'-hydroxy-3-nitrobenzenecarboximidamide
OR908142-01	4-Hydroxy-N, N-dimethylbenzamide
OR1002219-01	4-Hydroxy-N-methylbutanamide
OR900652-01	4-Hydroxy-N-propylbenzamide
OR900172-01	N-Hydroxy-4-methylbenzenesulfonamide
OR957581	4-Hydroxy-N-methoxybenzamide
OR908160-01	4-Hydroxy-N-methylbenzamide
OR015034	N-Hydroxy-4-methylaniline
OR957668-01	4-Hydroxy-N-isopropylbenzamide

Catalog	Name
sc-331560	N',4-Dihydroxy-3-nitrobenzenecarboximidamide
AQ BD 0031-01	N, N'-dimethyl-2-nitrobenzenecarboximidamide
TAA19025-01	4-Hydroxy-N, N-dimethylbutanamide
sc-349541A	4-hydroxy-N, N-dimethylbenzamide
FH24432-01	4-Hydroxy-N, N-diethyltryptamine
280183-01	N-Hydroxy-4-nitrophthalimide
279323-01	N-Hydroxy-4-aminobiphenyl
TRC-H943835-10G	4-Hydroxy-N-methylbutanamide
TRC-C100185-1G	N-hydroxy-4-methoxybenzamide
TRC-C582505-25MG	4'-Hydroxy-N-desmethylclobazam