4-Nitrobenzaldehyde oxime

CAT: 0024-sc-256810Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-256810Size:5 g

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CAS Number

1129-37-9

Chemical Information

4-Nitrobenzaldoxime

CAS Number	1129-37-9
PubChem CID	5374046
IUPAC Name	(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine
Molecular Formula	C7H6N2O3
Molecular Weight	166.13
XLogP	2
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	180

SMILES

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

InChI

InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+

InChIKey

WTLPAVBACRIHHC-VMPITWQZSA-N

Chemical Structure

2D Structure

CAS: 1129-37-9

CID: 5374046

Formula: C7H6N2O3

MW: 166.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.13
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	166.03784206
Monoisotopic Mass	166.03784206
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	180
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
sc-349644	4-morpholin-4-yl-3-nitrobenzaldehyde oxime
sc-349644A	4-morpholin-4-yl-3-nitrobenzaldehyde oxime
sc-256809	4-Nitrobenzaldehyde
sc-216959	4-Nitrobenzaldehyde-d4
sc-256624	4- (4-Fluorobenzyloxy) -3-nitrobenzaldehyde
sc-261055	3-Methyl-4-nitrobenzaldehyde
sc-314972	4- (Methylsulfonyl) -2-nitrobenzaldehyde
sc-261055A	3-Methyl-4-nitrobenzaldehyde
sc-256501	3-Fluoro-4-nitrobenzaldehyde
sc-262040B	4-Methoxy-2-nitrobenzaldehyde

Catalog	Name
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