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CCR2-RA

CAT: 0013-GTR19231858-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231858-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CCR2-RA
CAS Number
512177-31-0
Field of Research
Immunology & Inflammation
Purity
>98%
Smiles
CC (=O) C1=C (C (=O) N (C2=C (C=C (C=C2) Cl) F) C1C3CCCCC3) O
Molecular Formula
C18H19NO3FCL
Molecular Weight
351.79976
Notes
For research use only.

Chemical Information

2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
CAS Number512177-31-0
PubChem CID12093167
IUPAC Name3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
Molecular FormulaC18H19ClFNO3
Molecular Weight351.8
XLogP4.3
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity558
SMILES
CC(=O)C1=C(C(=O)N(C1C2CCCCC2)C3=C(C=C(C=C3)Cl)F)O
InChI
InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3
InChIKey
VQNLJXWZGVRLBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
CAS: 512177-31-0
CID: 12093167
Formula: C18H19ClFNO3
MW: 351.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight351.8
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass351.1037493
Monoisotopic Mass351.1037493
Topological Polar Surface Area57.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes