4-Amino-3-nitrobenzaldehyde

CAT: 0127-OR1035468-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1035468-01Size:250 mg

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CAS Number

51818-99-6

Purity

96%

Smiles

NC1=C(C=C(C=O)C=C1)[N+]([O-])=O

Chemical Information

4-Amino-3-nitrobenzaldehyde

CAS Number	51818-99-6
PubChem CID	13237703
IUPAC Name	4-amino-3-nitrobenzaldehyde
Molecular Formula	C7H6N2O3
Molecular Weight	166.13
XLogP	0.7
Topological Polar Surface Area	88.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	190

SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])N

InChI

InChI=1S/C7H6N2O3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H,8H2

InChIKey

IIOCECYTBZBBAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51818-99-6

CID: 13237703

Formula: C7H6N2O3

MW: 166.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.13
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	166.03784206
Monoisotopic Mass	166.03784206
Topological Polar Surface Area	88.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190
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
OR1044810-01	4-Amino-2-nitrobenzaldehyde
OR1042405-01	2-Amino-4-nitrobenzaldehyde
OR80021-01	2-Amino-3-nitrobenzaldehyde
OR4977-01	4-Chloro-3-nitrobenzaldehyde
OR26454-01	4-Methoxy-3-nitrobenzaldehyde
OR400210-01	3-Methoxy-4-nitrobenzaldehyde
OR5672	4-Methyl-3-nitrobenzaldehyde
OR1037277-01	4- (Bromomethyl) -3-nitrobenzaldehyde
OR400159	4-Iodo-3-nitrobenzaldehyde
OR30523-01	3-Methyl-4-nitrobenzaldehyde

Catalog	Name
BCA81899	4-amino-3-nitrobenzaldehyde
JEA46684	2-Amino-4-nitrobenzaldehyde
XDA27197-01	2-Amino-3-nitrobenzaldehyde
FC67667-01	3-Chloro-4-nitrobenzaldehyde
SBA56441	4-Methylamino-3-nitrobenzaldehyde
276066-01	4-Fluoro-3-nitrobenzaldehyde
sc-261055	3-Methyl-4-nitrobenzaldehyde
sc-256501	3-Fluoro-4-nitrobenzaldehyde
424351-01	3-Bromo-4-nitrobenzaldehyde
279647-01	4-Hydroxy-3-nitrobenzaldehyde