4-Morpholin-4-yl-2-nitrobenzoic acid

CAT: 0127-OR1049909-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1049909-01Size:100 mg

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CAS Number

404010-98-6

MDL Number

MFCD12198419

Purity

95%

Smiles

O1CCN(CC1)C2=CC(=C(C(=O)O)C=C2)[N+](=O)[O-]

Chemical Information

4-Morpholin-4-yl-2-nitrobenzoic acid

CAS Number	404010-98-6
PubChem CID	45791341
IUPAC Name	4-morpholin-4-yl-2-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=CC(=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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

InChIKey

XTCFTNJWMQVACD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 404010-98-6

CID: 45791341

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
OR8190-01	2-Morpholin-4-yl-5-nitrobenzoic acid
OR2517	5- (Morpholin-4-yl) -2-nitrobenzoic acid
OR76853-01	2- (Morpholin-4-yl) -3-nitrobenzoic acid
OR3881-01	2- (Morpholin-4-yl) isonicotinic acid
OR110070	2-Morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid
OR7242-01	4- (Morpholin-4-yl) benzeneboronic acid
OR1013919-01	Morpholin-4-YL-Acetic Acid
OR1021620	4- (Morpholin-4-yl) -4-oxobutanoic acid
OR7241-01	2-[ (Morpholin-4-yl) methyl]benzeneboronic acid
OR1061291-01	4- (Morpholin-4-yl) -4-oxobut-2-enoic acid

Catalog	Name
sc-308468	2-Morpholin-4-yl-3-nitrobenzoic acid
BBA57759-01	4- (morpholin-4-yl) -3-nitrobenzoic acid
283982-01	2-Morpholin-4-yl-isonicotinic acid
sc-343099A	2-morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid
FM35931	2- (Morpholin-4-yl) benzoic acid
283514-01	4-Morpholin-4-yl-phenylboronic acid
BBA57757-01	2-[4- (Morpholin-4-yl) phenyl]acetic acid
sc-314118	4- (2-Morpholin-4-yl-phenylcarbamoyl) -butyric acid
sc-259318A	2- (Morpholin-4-yl) pyridine-4-carboxylic acid
AKA72642-01	2- (Morpholin-4-yl) pyrimidine-4-carboxylic acid