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2- (2-Nitrophenoxy) ethyl bromide

CAT: 0024-sc-255994ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-255994ASize:5 g
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CAS Number
18800-37-8

Chemical Information

1-(2-Bromoethoxy)-2-nitrobenzene
CAS Number18800-37-8
PubChem CID310007
IUPAC Name1-(2-bromoethoxy)-2-nitrobenzene
Molecular FormulaC8H8BrNO3
Molecular Weight246.06
XLogP2.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity171
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCCBr
InChI
InChI=1S/C8H8BrNO3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2
InChIKey
AHOFWSHLRKOJBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Bromoethoxy)-2-nitrobenzene
CAS: 18800-37-8
CID: 310007
Formula: C8H8BrNO3
MW: 246.06
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight246.06
XLogP32.5
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
Complexity171
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