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3-[ (3-Chlorophenyl) methoxy]-4-methylaniline

CAT: 0926-DWB90475-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DWB90475-01Size:100 mg
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CAS Number
1153904-75-6
MDL Number
MFCD11921151
Smiles
CC1=C (C=C (C=C1) N) OCC2=CC (=CC=C2) Cl
Molecular Formula
C14H14ClNO
Molecular Weight
247.72 g/mol
Controlled
No

Chemical Information

3-[(3-Chlorophenyl)methoxy]-4-methylaniline
CAS Number1153904-75-6
PubChem CID39350501
IUPAC Name3-[(3-chlorophenyl)methoxy]-4-methylaniline
Molecular FormulaC14H14ClNO
Molecular Weight247.72
XLogP3.7
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity236
SMILES
CC1=C(C=C(C=C1)N)OCC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H14ClNO/c1-10-5-6-13(16)8-14(10)17-9-11-3-2-4-12(15)7-11/h2-8H,9,16H2,1H3
InChIKey
KLPVHHPWAWLDAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(3-Chlorophenyl)methoxy]-4-methylaniline
CAS: 1153904-75-6
CID: 39350501
Formula: C14H14ClNO
MW: 247.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.72
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass247.0763918
Monoisotopic Mass247.0763918
Topological Polar Surface Area35.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity236
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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CatalogName
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