2-Methoxy-6-nitrobenzaldehyde

CAT: 0127-OR90567-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR90567-01Size:100 mg

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CAS Number

19689-88-4

MDL Number

MFCD07371505

Purity

98%

Smiles

O=CC1=C([N+]([O-])=O)C=CC=C1OC

Chemical Information

2-Methoxy-6-nitrobenzaldehyde

CAS Number	19689-88-4
PubChem CID	13500909
IUPAC Name	2-methoxy-6-nitrobenzaldehyde
Molecular Formula	C8H7NO4
Molecular Weight	181.15
XLogP	0.3
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	201

SMILES

COC1=CC=CC(=C1C=O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO4/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-5H,1H3

InChIKey

NQCOCZQZPQKVGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19689-88-4

CID: 13500909

Formula: C8H7NO4

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	181.03750770
Monoisotopic Mass	181.03750770
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201
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
415549	2-Benzyloxy-3-methoxy-6-nitrobenzaldehyde
sc-262040B	4-Methoxy-2-nitrobenzaldehyde
sc-238575	3-Methoxy-2-nitrobenzaldehyde
436824-01	5-Methoxy-2-nitrobenzaldehyde
sc-254270	2-Methoxy-4-nitrobenzaldehyde
sc-230467	2-Methoxy-5-nitrobenzaldehyde
416223-01	2-Bromo-6-nitrobenzaldehyde
sc-206433A	2-Chloro-6-nitrobenzaldehyde
FFA13353-01	2-Amino-6-nitrobenzaldehyde
FF67539-01	2-Fluoro-6-nitrobenzaldehyde