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4- (2-Chloroethoxy) aniline

CAT: 0127-OR1045619Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1045619Size:250 mg
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CAS Number
27692-35-9
MDL Number
MFCD10000737
Purity
95%
Smiles
NC1=CC=C(OCCCl)C=C1

Chemical Information

4-(2-Chloroethoxy)aniline
CAS Number27692-35-9
PubChem CID119699
IUPAC Name4-(2-chloroethoxy)aniline
Molecular FormulaC8H10ClNO
Molecular Weight171.62
XLogP1.5
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity102
SMILES
C1=CC(=CC=C1N)OCCCl
InChI
InChI=1S/C8H10ClNO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6,10H2
InChIKey
JQRJWBDPSJFJPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Chloroethoxy)aniline
CAS: 27692-35-9
CID: 119699
Formula: C8H10ClNO
MW: 171.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.62
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass171.0450916
Monoisotopic Mass171.0450916
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity102
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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Alternative Products

CatalogName
CS-M-028762- (Methylthio) aniline
PPA36078-012- (Bromomethyl) aniline
HGC52018-012- (Diethylphosphoryl) aniline
MBA073182- (Methylsulfonamido) aniline
414395-012- (Trifluoromethoxy) aniline
RG-E140654-012- (propylsulfonyl) aniline
sc-340229A2- (cyclopentylsulfonyl) aniline
sc-340273A2- (ethoxymethyl) aniline
sc-237884A2- (Trifluoromethyl) aniline
sc-3210282- (Cyclohexylmethoxy) aniline

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