5-Nitro-2- (morpholin-4-yl) benzoic acid

CAT: 0926-EAA03683Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-EAA03683Size:5 g

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CAS Number

4036-83-3

MDL Number

MFCD00207115

Smiles

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

Molecular Formula

C11H12N2O5

Molecular Weight

252.22 g/mol

Controlled

Chemical Information

2-Morpholino-5-nitrobenzoic acid

CAS Number	4036-83-3
PubChem CID	2725755
IUPAC Name	2-morpholin-4-yl-5-nitrobenzoic acid
Molecular Formula	C11H12N2O5
Molecular Weight	252.22
XLogP	1.2
Topological Polar Surface Area	95.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	324

SMILES

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

InChI

InChI=1S/C11H12N2O5/c14-11(15)9-7-8(13(16)17)1-2-10(9)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H,14,15)

InChIKey

MRCONLVSTRNJQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4036-83-3

CID: 2725755

Formula: C11H12N2O5

MW: 252.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.22
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	252.07462149
Monoisotopic Mass	252.07462149
Topological Polar Surface Area	95.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	324
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
FM35931	2- (Morpholin-4-yl) benzoic acid
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GKC65297-01	5-Iodo-2- (morpholin-4-yl) benzoic acid
GBC38088-01	3,5-Difluoro-4- (morpholin-4-yl) benzoic acid
JBD30560-01	3-Fluoro-5- (morpholin-4-yl) benzoic acid hydrochloride
DDA24327	5-Nitro-2- (4-methylpiperidin-1-yl) benzoic acid
XHA44565-01	3-Methyl-4-morpholin-4-yl-benzoic acid
LKB50146-01	4-Chloro-3- (morpholin-4-yl) benzoic acid
RAA92750-01	5-Nitro-2- (phenylamino) benzoic acid
PYB37354-01	2-Nitro-5- (trifluoromethyl) benzoic acid

Catalog	Name
sc-275061	2-Morpholin-4-yl-5-nitro-benzoic acid
sc-277550	4-Morpholin-4-yl-3-nitro-benzoic acid
sc-343099A	2-morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid
OR85850	5- (Dimethylsulfamoyl) -2- (morpholin-4-yl) benzoic acid
sc-308198	2-Methoxy-5-morpholin-4-yl-benzoic acid
sc-307459	2-Chloro-5-morpholin-4-yl-benzoic acid
OR1004934-01	5-Methoxy-4- (3-morpholin-4-yl-propoxy) -2-nitro-benzoic acid methyl ester
sc-318936	5-Morpholin-4-yl-2-propoxy-benzoic acid hydrochloride
sc-314117	4- (2-Morpholin-4-yl-ethoxy) -benzoic acid
OR0716	3- (Morpholin-4-yl) benzoic acid