AC1Q3QWB

CAT: 0607-BA4869-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4869-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

46697-00-1

Form

A liquid

Molecular Formula

C12H15Cl2NO

Molecular Weight

260.16

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-[(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine

CAS Number	46697-00-1
PubChem CID	36806
IUPAC Name	N-[(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine
Molecular Formula	C12H15Cl2NO
Molecular Weight	260.16
XLogP	3.6
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	237

SMILES

CC(C)NCC1CC2=C(O1)C(=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H15Cl2NO/c1-7(2)15-6-10-4-8-3-9(13)5-11(14)12(8)16-10/h3,5,7,10,15H,4,6H2,1-2H3

InChIKey

FCFGRTQYVIIVRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 46697-00-1

CID: 36806

Formula: C12H15Cl2NO

MW: 260.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.16
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	259.0530695
Monoisotopic Mass	259.0530695
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-161024-01	AC1Q3QWB