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2- (2-Chloroethoxy) benzamide

CAT: 0926-EBA57913-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-EBA57913-01Size:50 mg
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CAS Number
29579-13-3
MDL Number
MFCD02380759
Smiles
C1=CC=C (C (=C1) C (=O) N) OCCCl
Molecular Formula
C9H10ClNO2
Molecular Weight
199.63 g/mol
Controlled
No

Chemical Information

2-(2-Chloroethoxy)benzamide
CAS Number29579-13-3
PubChem CID3823137
IUPAC Name2-(2-chloroethoxy)benzamide
Molecular FormulaC9H10ClNO2
Molecular Weight199.63
XLogP1.4
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity175
SMILES
C1=CC=C(C(=C1)C(=O)N)OCCCl
InChI
InChI=1S/C9H10ClNO2/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKey
WPLHSDOLOPJHHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Chloroethoxy)benzamide
CAS: 29579-13-3
CID: 3823137
Formula: C9H10ClNO2
MW: 199.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.63
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass199.0400063
Monoisotopic Mass199.0400063
Topological Polar Surface Area52.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity175
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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