Colestilan

CAT: 0926-VDA52245-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-VDA52245-01Size:1 g

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

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CAS Number

95522-45-5

MDL Number

MFCD00868581

Smiles

CC1 (CC2=C (C=CC (=C2) C (=O) O) NC1C3=CC (=CC=C3) N) C

Molecular Formula

C7H11ClN2O

Molecular Weight

174.63 g/mol

Controlled

Chemical Information

Colestilan

CAS Number	95522-45-5
PubChem CID	65840
IUPAC Name	2-(chloromethyl)oxirane;2-methyl-1H-imidazole
Molecular Formula	C7H11ClN2O
Molecular Weight	174.63
Topological Polar Surface Area	41.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	82

SMILES

CC1=NC=CN1.C1C(O1)CCl

InChI

InChI=1S/C4H6N2.C3H5ClO/c1-4-5-2-3-6-4;4-1-3-2-5-3/h2-3H,1H3,(H,5,6);3H,1-2H2

InChIKey

DEMLYXMVPJAVFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95522-45-5

CID: 65840

Formula: C7H11ClN2O

MW: 174.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.63
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	174.0559907
Monoisotopic Mass	174.0559907
Topological Polar Surface Area	41.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	82.7
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	2
Compound Is Canonicalized	Yes

Catalog	Name
MBS5824345	Colestilan
163176-01	Colestilan (MCI 196)