8-Chlorochroman

CAT: 0127-OR82577Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR82577Size:250 mg

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CAS Number

3722-69-8

MDL Number

MFCD03695452

Purity

96%

Smiles

C1CCC=2C=CC=C(C2O1)Cl

Chemical Information

8-Chlorochroman

CAS Number	3722-69-8
PubChem CID	53421362
IUPAC Name	8-chloro-3,4-dihydro-2H-chromene
Molecular Formula	C9H9ClO
Molecular Weight	168.62
XLogP	2.9
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

C1CC2=C(C(=CC=C2)Cl)OC1

InChI

InChI=1S/C9H9ClO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5H,2,4,6H2

InChIKey

CYSQTUPJQFEKES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3722-69-8

CID: 53421362

Formula: C9H9ClO

MW: 168.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.62
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	168.0341926
Monoisotopic Mass	168.0341926
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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
OR1100455	8-Bromo-5-chlorochroman-4-one
OR82158-01	6-Chlorochroman-4-amine
OR510220-01	7-Chlorochroman-4-amine
OR926777-01	6-Chlorochroman-4-one
OR1047411-01	7-Chlorochroman-3-amine hydrochloride
OR948266-01	(4S) -6-Chlorochroman-4-amine
OR1100124-01	(r) -7-Chlorochroman-4-amine
OR1005668	7-Chlorochroman-4-amine hcl
OR85003-01	6-Chlorochroman-2-carboxylic acid
OR930788	6-Chlorochroman-4-amine hydrochloride

Catalog	Name
270078-01	6-Chlorochroman-4-one
234652-01	6-Chlorochroman-4-one 99+% (HPLC)
QBA02624-01	6-Chlorochroman-2-carboxylic acid
M31480-01	8,8-Bibaicalein
CUA89082-01	8,8''-Biskoenigine
TBZ0090	8,8'-Bieckol
sc-20020	NCK2 (8.8)
HY-N8842-01	8,8''-Bibaicalein
HY-160589	Nav1.8-IN-8
HY-161737-01	YT-8-8