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2-Bromo-6-morpholinobenzonitrile

CAT: 0572-TRC-B701500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B701500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1129540-65-3
Hazard Statement
Harmful in contact with skin.
Purity
>95% (HPLC)
Smiles
C1COCCN1C2=C(C(=CC=C2)Br)C#N
Molecular Formula
C11H11N2OBr
Molecular Weight
267.12
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Bromo-6-morpholinobenzonitrile
CAS Number1129540-65-3
PubChem CID59588248
IUPAC Name2-bromo-6-morpholin-4-ylbenzonitrile
Molecular FormulaC11H11BrN2O
Molecular Weight267.12
XLogP2.1
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity257
SMILES
C1COCCN1C2=C(C(=CC=C2)Br)C#N
InChI
InChI=1S/C11H11BrN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKey
HKIGGSMIIBGCKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-6-morpholinobenzonitrile
CAS: 1129540-65-3
CID: 59588248
Formula: C11H11BrN2O
MW: 267.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.12
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass266.00548
Monoisotopic Mass266.00548
Topological Polar Surface Area36.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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