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L 35

CAT: 0013-GTR19194083-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194083-02Size:50 mg
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Description
L 35
CAS Number
121809-80-1
Smiles
O (C (C (O) =O) (C) C) C1=CC=C (NC (NC2=CC (Cl) =CC (Cl) =C2) =O) C=C1
Molecular Formula
C17H16Cl2N2O4
Molecular Weight
383.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid
CAS Number121809-80-1
PubChem CID195347
IUPAC Name2-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.2
XLogP3.8
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity471
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKey
OYJPTSMWFKGZJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid
CAS: 121809-80-1
CID: 195347
Formula: C17H16Cl2N2O4
MW: 383.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.2
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass382.0487124
Monoisotopic Mass382.0487124
Topological Polar Surface Area87.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity471
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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