3-Chloro-2-nitrobenzaldehyde

CAT: 0926-FC68004-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FC68004-01Size:250 mg

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CAS Number

22233-52-9

MDL Number

MFCD06797953

Smiles

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

Molecular Formula

C7H4ClNO3

Molecular Weight

185.56 g/mol

Controlled

Chemical Information

3-Chloro-2-nitrobenzaldehyde

CAS Number	22233-52-9
PubChem CID	12248972
IUPAC Name	3-chloro-2-nitrobenzaldehyde
Molecular Formula	C7H4ClNO3
Molecular Weight	185.56
XLogP	1.8
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	192

SMILES

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

InChI

InChI=1S/C7H4ClNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-4H

InChIKey

WKHILFGJMAXBNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22233-52-9

CID: 12248972

Formula: C7H4ClNO3

MW: 185.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.56
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	184.9879707
Monoisotopic Mass	184.9879707
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	192
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
FC67667-01	3-Chloro-4-nitrobenzaldehyde
FC64008-01	5-Chloro-2-nitrobenzaldehyde
FC36981-01	2-Chloro-5-nitrobenzaldehyde
FC20029-01	4-Chloro-2-nitrobenzaldehyde
NBA22605-01	2-Chloro-6-hydroxy-3-nitrobenzaldehyde
FC65820-01	2-Chloro-3,4-dimethoxy-6-nitrobenzaldehyde
CIA80822	5-bromo-4-chloro-2-nitrobenzaldehyde
SBA12333	3-Hydroxy-2-nitrobenzaldehyde
XDA27197-01	2-Amino-3-nitrobenzaldehyde
FF67734-01	3-Fluoro-2-nitrobenzaldehyde