7-Chloro-4-Indanol

CAT: 0127-OR1029408-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1029408-01Size:100 mg

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CAS Number

145-94-8

Synonyms

7-chloro-2,3-dihydro-1H-inden-4-ol

Purity

98%

Smiles

C1CC2=C(C=CC(=C2C1)Cl)O

Chemical Information

Chlorindanol

CAS Number	145-94-8
PubChem CID	8961
IUPAC Name	7-chloro-2,3-dihydro-1H-inden-4-ol
Molecular Formula	C9H9ClO
Molecular Weight	168.62
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	148

SMILES

C1CC2=C(C=CC(=C2C1)Cl)O

InChI

InChI=1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2

InChIKey

ATAJVFBUUIBIEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145-94-8

CID: 8961

Formula: C9H9ClO

MW: 168.62

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	168.62
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	168.0341926
Monoisotopic Mass	168.0341926
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148
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

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