5-Chloroisoindoline

CAT: 0926-CFA16876-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-CFA16876-01Size:1 g

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CAS Number

127168-76-7

MDL Number

MFCD11223563

Smiles

C1C2=C (CN1) C=C (C=C2) Cl.Cl

Molecular Formula

C8H8ClN

Molecular Weight

153.61 g/mol

Controlled

Chemical Information

5-Chloroisoindoline

CAS Number	127168-76-7
PubChem CID	14795866
IUPAC Name	5-chloro-2,3-dihydro-1H-isoindole
Molecular Formula	C8H8ClN
Molecular Weight	153.61
XLogP	1.5
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	126

SMILES

C1C2=C(CN1)C=C(C=C2)Cl

InChI

InChI=1S/C8H8ClN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2

InChIKey

KDKRSWXFLFTSII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127168-76-7

CID: 14795866

Formula: C8H8ClN

MW: 153.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.61
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	153.0345270
Monoisotopic Mass	153.0345270
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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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