673 A

CAT: 0926-JEA43762-02Size: 0.05 gDry Ice: NoHazardous: No

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CAT#:0926-JEA43762-02Size:0.05 g

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CAS Number

109437-62-9

Smiles

C1C2=CC=CC=C2CN1C3=CC=C (C=C3) C=O

Molecular Formula

C15H13NO

Molecular Weight

223.28 g/mol

Controlled

Chemical Information

4-(Isoindolin-2-yl)benzaldehyde

CAS Number	109437-62-9
PubChem CID	969428
IUPAC Name	4-(1,3-dihydroisoindol-2-yl)benzaldehyde
Molecular Formula	C15H13NO
Molecular Weight	223.27
XLogP	2.6
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	256

SMILES

C1C2=CC=CC=C2CN1C3=CC=C(C=C3)C=O

InChI

InChI=1S/C15H13NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,11H,9-10H2

InChIKey

GSAVXYHVHQTGEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109437-62-9

CID: 969428

Formula: C15H13NO

MW: 223.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.27
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	223.099714038
Monoisotopic Mass	223.099714038
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	256
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
FA145496-01	AZD 6738

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