2-Methoxy-5-nitrobenzaldehyde

CAT: 0024-sc-230467Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-230467Size:5 g

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CAS Number

25016-02-8

Chemical Information

Benzaldehyde, 2-methoxy-5-nitro-

CAS Number	25016-02-8
PubChem CID	90685
IUPAC Name	2-methoxy-5-nitrobenzaldehyde
Molecular Formula	C8H7NO4
Molecular Weight	181.15
XLogP	1.6
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=C(C=C(C=C1)[N+](=O)[O-])C=O

InChI

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

InChIKey

YWVSKFXYEWMHEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25016-02-8

CID: 90685

Formula: C8H7NO4

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	1.6
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
sc-262647A	5-Methoxy-2-nitrobenzaldehyde
sc-262647	5-Methoxy-2-nitrobenzaldehyde
sc-348323A	4- (difluoromethoxy) -5-methoxy-2-nitrobenzaldehyde
sc-276832	4- (benzyloxy) -5-methoxy-2-nitrobenzaldehyde
sc-348323	4- (difluoromethoxy) -5-methoxy-2-nitrobenzaldehyde
sc-277426	4-hydroxy-5-methoxy-2-nitrobenzaldehyde
sc-262040B	4-Methoxy-2-nitrobenzaldehyde
sc-238575	3-Methoxy-2-nitrobenzaldehyde
sc-262040	4-Methoxy-2-nitrobenzaldehyde
sc-254270	2-Methoxy-4-nitrobenzaldehyde

Catalog	Name
OR400049-01	2-Methoxy-5-nitrobenzaldehyde
436824-01	5-Methoxy-2-nitrobenzaldehyde
OR1007038-01	3-Methoxy-5-nitrobenzaldehyde
FH69869-01	2-Hydroxy-3-methoxy-5-nitrobenzaldehyde
LYA41286-01	2-Fluoro-4-methoxy-5-nitrobenzaldehyde
OR1060672-01	2-Bromo-4-methoxy-5-nitrobenzaldehyde
FH70278-01	2-Hydroxy-5-methoxy-3-nitrobenzaldehyde
FB149165-01	4- (Benzyloxy) -5-methoxy-2-nitrobenzaldehyde
CAA45472-01	4-hydroxy-5-methoxy-2-nitrobenzaldehyde
PC110459-01	4-Fluoro-5-methoxy-2-nitrobenzaldehyde