5-Methoxy-2-nitrobenzoic acid

CAT: 0127-OR27574-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR27574-01Size:25 g

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CAS Number

1882-69-5

Synonyms

6-Nitro-m-anisic acid, 2-Carboxy-4-methoxynitrobenzene

MDL Number

MFCD00151836

Purity

=95%

Smiles

COc1ccc(c(c1)C(=O)O)[N+](=O)[O-]

Chemical Information

5-Methoxy-2-nitrobenzoic acid

CAS Number	1882-69-5
PubChem CID	339209
IUPAC Name	5-methoxy-2-nitrobenzoic acid
Molecular Formula	C8H7NO5
Molecular Weight	197.14
XLogP	1.5
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	236

SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H7NO5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

URADKXVAIGMTEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1882-69-5

CID: 339209

Formula: C8H7NO5

MW: 197.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.14
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	197.03242232
Monoisotopic Mass	197.03242232
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	236
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
OR70137-01	2-Methoxy-5-nitrobenzoic acid
OR345602-01	5-Methoxy-3-nitrobenzoic acid
OR1048673-01	2- (2-Methoxy-2-oxoethyl) -5-nitrobenzoic acid
OR1060723-01	4-Methoxy-2-methyl-5-nitrobenzoic acid
OR84454-01	5-Methoxy-2-methyl-4-nitrobenzoic acid
OR400486	2-Hydroxy-4-methoxy-5-nitrobenzoic acid
OR54342-01	5-Hydroxy-4-methoxy-2-nitrobenzoic acid
PC1007301-01	5-Fluoro-2-methoxy-4-nitrobenzoic acid
PC99952-01	5-Fluoro-3-methoxy-2-nitrobenzoic acid
OR1074411-01	5-Methoxy-4-methyl-2-nitrobenzoic acid

Catalog	Name
M6940-01	5-Methoxy-2-nitrobenzoic acid
sc-274967	2-methoxy-5-nitrobenzoic acid
161935	5-Methoxy-nitrobenzoic Acid
FM67871-01	3-Methoxy-5-nitrobenzoic acid
FC66975-01	5-Chloro-3-methoxy-2-nitrobenzoic acid
QMC49479-01	2-Fluoro-4-methoxy-5-nitrobenzoic acid
TYD-03251-01	4-Hydroxy-5-methoxy-2-nitrobenzoic acid
sc-352669	5-hydroxy-4-methoxy-2-nitrobenzoic acid
sc-277360	4-ethoxy-5-methoxy-2-nitrobenzoic acid
sc-278190	5-ethoxy-4-methoxy-2-nitrobenzoic acid