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2-Bromoethyl-4-nitrophenyl Ether

CAT: 0572-TRC-B684260-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684260-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13288-06-7
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1ccc(OCCBr)cc1
Molecular Formula
C8 H8 Br N O3
Molecular Weight
246.06
InChI
InChI=1S/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
Additionnal Information
IUPAC name: 1-(2-bromoethoxy)-4-nitrobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(2-Bromoethoxy)-4-nitrobenzene
CAS Number13288-06-7
PubChem CID235987
IUPAC Name1-(2-bromoethoxy)-4-nitrobenzene
Molecular FormulaC8H8BrNO3
Molecular Weight246.06
XLogP2.9
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCBr
InChI
InChI=1S/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
InChIKey
YQWCBDNNEZHPMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Bromoethoxy)-4-nitrobenzene
CAS: 13288-06-7
CID: 235987
Formula: C8H8BrNO3
MW: 246.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.06
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass244.96876
Monoisotopic Mass244.96876
Topological Polar Surface Area55.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
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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sc-2064152-Bromoethyl-4-nitrophenyl Ether
sc-2136812- (Bromoethyl-d4) -4-nitrophenyl Ether
0047712-Bromoethyl-4-nitrophenyl Ether-d4
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sc-2265984-Chlorophenyl 2-bromoethyl ether
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