5-acetyl-2-chlorobenzaldehyde

CAT: 0127-OR1084056-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1084056-01Size:250 mg

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CAS Number

1500017-85-5

MDL Number

MFCD26679282

Purity

97%

Smiles

C1 (c (ccc (c1) C (=O) C) Cl) C=O

Chemical Information

5-Acetyl-2-chlorobenZaldehyde

CAS Number	1500017-85-5
PubChem CID	83383263
IUPAC Name	5-acetyl-2-chlorobenzaldehyde
Molecular Formula	C9H7ClO2
Molecular Weight	182.60
XLogP	1.7
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	191

SMILES

CC(=O)C1=CC(=C(C=C1)Cl)C=O

InChI

InChI=1S/C9H7ClO2/c1-6(12)7-2-3-9(10)8(4-7)5-11/h2-5H,1H3

InChIKey

RIYOVVKXWNHOOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1500017-85-5

CID: 83383263

Formula: C9H7ClO2

MW: 182.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.60
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	182.0134572
Monoisotopic Mass	182.0134572
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	191
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
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OR1030680-01	2-Chlorobenzaldehyde
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OR1031093-01	5- (Tert-butyl) -2-chlorobenzaldehyde
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Catalog	Name
FB33572	2-Bromo-5-chlorobenzaldehyde
TRC-A617790-250MG	2-Amino-5-chlorobenzaldehyde
415526-01	2-Benzyl-5-chlorobenzaldehyde
TRC-B699463-500MG	5-Bromo-2-chlorobenzaldehyde
261168-01	2- (Allyloxy) -5-chlorobenzaldehyde
sc-282719	2- (benzyloxy) -5-chlorobenzaldehyde
JH912844	2-Chlorobenzaldehyde
903003	2‐CHLOROBENZALDEHYDE
230408-01	2-Hydroxy-5-chlorobenzaldehyde 98+%
TRC-B233167-10MG	2-Benzyl-5-chlorobenzaldehyde-13C6