2- (4-Nitrophenyl) malonaldehyde

CAT: 0024-sc-356303ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-356303ASize:5 g

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CAS Number

18915-53-2

Chemical Information

2-(4-Nitrophenyl)malonaldehyde

CAS Number	18915-53-2
PubChem CID	12725383
IUPAC Name	2-(4-nitrophenyl)propanedial
Molecular Formula	C9H7NO4
Molecular Weight	193.16
XLogP	1.1
Topological Polar Surface Area	80
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

C1=CC(=CC=C1C(C=O)C=O)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO4/c11-5-8(6-12)7-1-3-9(4-2-7)10(13)14/h1-6,8H

InChIKey

AXZKOZLDEWIJPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18915-53-2

CID: 12725383

Formula: C9H7NO4

MW: 193.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.16
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	193.03750770
Monoisotopic Mass	193.03750770
Topological Polar Surface Area	80 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
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
sc-298112B	2- (4-Methylphenyl) malonaldehyde
sc-298105A	2- (4-Chlorophenyl) malonaldehyde
sc-298112A	2- (4-Methylphenyl) malonaldehyde
sc-298112	2- (4-Methylphenyl) malonaldehyde
sc-298105	2- (4-Chlorophenyl) malonaldehyde
sc-305486A	2- (4-Chloro-2-nitrophenyl) malondialdehyde
sc-320828	2- (4-Hydroxycarbonyl-2-nitrophenyl) -malondialdehyde
sc-305486	2- (4-Chloro-2-nitrophenyl) malondialdehyde
sc-305629A	2- (4-Methylsulfonyl-2-nitrophenyl) malondialdehyde
sc-320828A	2- (4-Hydroxycarbonyl-2-nitrophenyl) -malondialdehyde

Catalog	Name
OR7644-01	2- (4-Nitrophenyl) malonaldehyde
OR2258	2- (2-Nitrophenyl) malonaldehyde
PC0311-01	2- (4-Fluorophenyl) malonaldehyde
FIA67617	2- (4-Chlorophenyl) malonaldehyde
OR7635	2- (4-Chlorophenoxy) malonaldehyde
OR6632	2- (4-Methoxyphenyl) malonaldehyde
OR7621-01	2- (4-Bromophenyl) malonaldehyde
OR59435-01	2- (4-Iodophenoxy) malonaldehyde
PC0315-01	2-[4- (Trifluoromethyl) phenyl]malonaldehyde
OR3395-01	2- (Pyridin-4-yl) malonaldehyde