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2- (3-Bromophenoxy) pyrazine hydrochloride

CAT: 0926-YGC02771-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YGC02771-01Size:50 mg
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CAS Number
1423027-71-7
MDL Number
MFCD22628376
Smiles
C1=CC (=CC (=C1) Br) OC2=NC=CN=C2.Cl
Molecular Formula
C10H8BrClN2O
Molecular Weight
287.54 g/mol
Controlled
No

Chemical Information

2-(3-Bromophenoxy)pyrazine hydrochloride
CAS Number1423027-71-7
PubChem CID71757346
IUPAC Name2-(3-bromophenoxy)pyrazine;hydrochloride
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54
Topological Polar Surface Area35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity180
SMILES
C1=CC(=CC(=C1)Br)OC2=NC=CN=C2.Cl
InChI
InChI=1S/C10H7BrN2O.ClH/c11-8-2-1-3-9(6-8)14-10-7-12-4-5-13-10;/h1-7H;1H
InChIKey
BKKGWKMMDGKLCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromophenoxy)pyrazine hydrochloride
CAS: 1423027-71-7
CID: 71757346
Formula: C10H8BrClN2O
MW: 287.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.54
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass285.95085
Monoisotopic Mass285.95085
Topological Polar Surface Area35 Ų
Heavy Atom Count15
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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