2- (Morpholin-4-yl) -5-nitrobenzaldehyde

CAT: 0127-OR27640-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR27640-01Size:100 mg

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CAS Number

30742-62-2

Synonyms

4- (2-Formyl-4-nitrophenyl) morpholine, 3-Formyl-4- (morpholin-4-yl) nitrobenzene

MDL Number

MFCD00439921

Purity

=95%

Smiles

[O-][N+](=O)c1ccc(N2CCOCC2)c(C=O)c1

Chemical Information

2-Morpholino-5-nitrobenzaldehyde

CAS Number	30742-62-2
PubChem CID	2794872
IUPAC Name	2-morpholin-4-yl-5-nitrobenzaldehyde
Molecular Formula	C11H12N2O4
Molecular Weight	236.22
XLogP	1
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	286

SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C11H12N2O4/c14-8-9-7-10(13(15)16)1-2-11(9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2

InChIKey

PCGDWIWUQDHQLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30742-62-2

CID: 2794872

Formula: C11H12N2O4

MW: 236.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.22
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	236.07970687
Monoisotopic Mass	236.07970687
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	286
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
OR0662	4- (Morpholin-4-yl) -3-nitrobenzaldehyde
OR85502-01	2- (Morpholin-4-yl) -5- (morpholine-4-sulfonyl) aniline
OR76019-01	5- (4-Methylpiperazin-1-yl) -2-nitrobenzaldehyde
OR12152	2- (Morpholin-4-yl) -5-nitrobenzonitrile
OR30783-01	5- (Morpholin-4-yl) -2-nitroaniline
OR110070	2-Morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid
OR1057654-01	5-Morpholino-2-nitrobenzaldehyde
OR23275	5- (Hydroxymethyl) -2- (morpholin-4-yl) pyridine
OR8346	5- (Ethylsulphonyl) -2- (morpholin-4-yl) aniline
OR8190-01	2-Morpholin-4-yl-5-nitrobenzoic acid

Catalog	Name
sc-277551	4-morpholin-4-yl-3-nitrobenzaldehyde
sc-349644A	4-morpholin-4-yl-3-nitrobenzaldehyde oxime
sc-343099A	2-morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid
HY-W370605-01	5- (Morpholin-4-yl) pentanoic acid
284088-01	5-Morpholin-4-yl-nicotinic acid
sc-357001	5- (Morpholin-4-yl) -2H-tetrazole
sc-262555A	(5-Bromopyridin-3-yl) morpholin-4-yl-methanone
sc-355141A	N-[2-morpholin-4-yl-5- (morpholin-4-ylsulfonyl) phenyl]hydrazinecarbothioamide
NZB70491-01	2,5-Difluoro-4- (morpholin-4-yl) aniline
TGA82876-01	3,5-Difluoro-4- (morpholin-4-yl) aniline