3-Methoxy-2-nitrobenzaldehyde

CAT: 0127-OR902223-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR902223-01Size:250 mg

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CAS Number

53055-05-3

MDL Number

MFCD00007135

Purity

98%

Smiles

COC1=CC=CC(C=O)=C1N(=O)=O

Storage Conditions

Store at 2-8°C

Chemical Information

3-Methoxy-2-nitrobenzaldehyde

CAS Number	53055-05-3
PubChem CID	98867
IUPAC Name	3-methoxy-2-nitrobenzaldehyde
Molecular Formula	C8H7NO4
Molecular Weight	181.15
XLogP	1
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(=C1[N+](=O)[O-])C=O

InChI

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

InChIKey

GDTUACILWWLIJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53055-05-3

CID: 98867

Formula: C8H7NO4

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	1
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
OR26454-01	4-Methoxy-3-nitrobenzaldehyde
OR400210-01	3-Methoxy-4-nitrobenzaldehyde
OR1007038-01	3-Methoxy-5-nitrobenzaldehyde
OR963995-01	2-Methoxy-4-nitrobenzaldehyde
OR90567-01	2-Methoxy-6-nitrobenzaldehyde
OR400049-01	2-Methoxy-5-nitrobenzaldehyde
OR14772-01	5-Methoxy-2-nitrobenzaldehyde
OR2967-01	4-Methoxy-2-nitrobenzaldehyde
OR95682-01	2-Hydroxy-3-methoxy-5-nitrobenzaldehyde
OR91946-01	3-Hydroxy-4-methoxy-2-nitrobenzaldehyde

Catalog	Name
sc-238575	3-Methoxy-2-nitrobenzaldehyde
sc-254694	4-Methoxy-3-nitrobenzaldehyde
FDA41057	3-methoxy-4-nitrobenzaldehyde
sc-262040B	4-Methoxy-2-nitrobenzaldehyde
436824-01	5-Methoxy-2-nitrobenzaldehyde
sc-254270	2-Methoxy-4-nitrobenzaldehyde
sc-230467	2-Methoxy-5-nitrobenzaldehyde
FH69869-01	2-Hydroxy-3-methoxy-5-nitrobenzaldehyde
VAA04161-01	2-Hydroxy-3-methoxy-4-nitrobenzaldehyde
415549	2-Benzyloxy-3-methoxy-6-nitrobenzaldehyde