3-Methyl-4-nitrobenzaldehyde

CAT: 0024-sc-261055Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-261055Size:1 g

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CAS Number

18515-67-8

Chemical Information

3-Methyl-4-nitrobenzaldehyde

CAS Number	18515-67-8
PubChem CID	11194528
IUPAC Name	3-methyl-4-nitrobenzaldehyde
Molecular Formula	C8H7NO3
Molecular Weight	165.15
XLogP	2.3
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	187

SMILES

CC1=C(C=CC(=C1)C=O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-5H,1H3

InChIKey

WHJDQIWWIJARMK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18515-67-8

CID: 11194528

Formula: C8H7NO3

MW: 165.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.15
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	165.042593085
Monoisotopic Mass	165.042593085
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	187
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-232865	4-Methyl-3-nitrobenzaldehyde
sc-256501	3-Fluoro-4-nitrobenzaldehyde
sc-260775	3-Bromo-4-nitrobenzaldehyde
sc-238863	4-Hydroxy-3-nitrobenzaldehyde
sc-260775A	3-Bromo-4-nitrobenzaldehyde
sc-232650	4-Ethyl-3-nitrobenzaldehyde
sc-261378	4- (Benzylthio) -3-nitrobenzaldehyde
sc-226533	4-Bromo-3-nitrobenzaldehyde
sc-256501A	3-Fluoro-4-nitrobenzaldehyde
sc-226624	4-Ethoxy-3-nitrobenzaldehyde

Catalog	Name
OR5672	4-Methyl-3-nitrobenzaldehyde
OR30523-01	3-Methyl-4-nitrobenzaldehyde
OR930693-01	4-Methyl-2-nitrobenzaldehyde
XCA00584	2-Methyl-4-nitrobenzaldehyde
OR89536-01	3-Bromo-5-methyl-4-nitrobenzaldehyde
FAA85827-01	3-Methyl-2-nitrobenzaldehyde
YAA87612-01	2-methyl-3-nitrobenzaldehyde
OR956317-01	3-Methyl-5-nitrobenzaldehyde
FC67667-01	3-Chloro-4-nitrobenzaldehyde
SBA56441	4-Methylamino-3-nitrobenzaldehyde