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((2-Bromoethoxy) Methyl) Benzene

CAT: 1299-RG-A262625-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262625-01Size:10 mg
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CAS Number
1462-37-9
Synonyms
((2-bromoethoxy) methyl) benzene
Molecular Formula
C9H11BrO
Molecular Weight
215.09
Product Name Synonym
((2-bromoethoxy) methyl) benzene

Chemical Information

Benzene, ((2-bromoethoxy)methyl)-
CAS Number1462-37-9
PubChem CID73833
IUPAC Name2-bromoethoxymethylbenzene
Molecular FormulaC9H11BrO
Molecular Weight215.09
XLogP2.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity89
SMILES
C1=CC=C(C=C1)COCCBr
InChI
InChI=1S/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
FWOHDAGPWDEWIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, ((2-bromoethoxy)methyl)-
CAS: 1462-37-9
CID: 73833
Formula: C9H11BrO
MW: 215.09
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight215.09
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass213.99933
Monoisotopic Mass213.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity89.6
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