2-methoxy-5-nitrobenzoic acid

CAT: 0024-sc-274967Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-274967Size:1 g

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CAS Number

40751-89-1

Chemical Information

2-Methoxy-5-nitrobenzoic acid

CAS Number	40751-89-1
PubChem CID	284163
IUPAC Name	2-methoxy-5-nitrobenzoic acid
Molecular Formula	C8H7NO5
Molecular Weight	197.14
XLogP	1.4
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=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

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

InChIKey

CVZUPRDSNNBZLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40751-89-1

CID: 284163

Formula: C8H7NO5

MW: 197.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.14
XLogP3	1.4
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
sc-254841	5-Methoxy-2-nitrobenzoic acid
sc-276294	3-methoxy-5-nitrobenzoic acid
sc-348324	4- (difluoromethoxy) -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
sc-348324A	4- (difluoromethoxy) -5-methoxy-2-nitrobenzoic acid
sc-352669A	5-hydroxy-4-methoxy-2-nitrobenzoic acid
sc-262042	4-Methoxy-2-nitrobenzoic acid
sc-209214	2-Methoxy-4-nitrobenzoic Acid

Catalog	Name
FM64217-01	5-Methoxy-2-nitrobenzoic acid
418597-01	2-Methoxy-5-nitrobenzoic acid
161935	5-Methoxy-nitrobenzoic Acid
OR345602-01	5-Methoxy-3-nitrobenzoic acid
FM67871-01	3-Methoxy-5-nitrobenzoic acid
OR1048673-01	2- (2-Methoxy-2-oxoethyl) -5-nitrobenzoic acid
LCA94883-01	5-Ethoxy-4-methoxy-2-nitrobenzoic acid
BEA58113-01	2-Chloro-5-methoxy-4-nitrobenzoic acid
432418-01	4-Fluoro-5-methoxy-2-nitrobenzoic acid
414816-01	2-Acetamido-5-methoxy-4-nitrobenzoic acid