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373370-03-7

373370-03-7 | 5-(4-Chlorophenyl)-3-hydroxycyclohex-2-en-1-one

CAS No: 373370-03-7 Catalog No: AG01F9XL MDL No:

Product Description

Catalog Number:
AG01F9XL
Chemical Name:
5-(4-Chlorophenyl)-3-hydroxycyclohex-2-en-1-one
CAS Number:
373370-03-7
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
IUPAC Name:
5-(4-chlorophenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,7,9,14H,5-6H2
InChI Key:
DLZDPGBOQGNSNO-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1ccc(cc1)Cl

Properties

Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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