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3460-04-6,MFCD00018971
Catalog No.:AA00BZPE
3460-04-6 | 3-CHLORO-N-PHENYLPROPANAMIDE
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1g
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5g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00BZPE
Chemical Name:
3-CHLORO-N-PHENYLPROPANAMIDE
CAS Number:
3460-04-6
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
MDL Number:
MFCD00018971
IUPAC Name:
3-chloro-N-phenylpropanamide
InChI:
InChI=1S/C9H10ClNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChI Key:
FRXJYUFHAXXSAL-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1ccccc1
NSC Number:
46582
Properties
Computed Properties
 
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
3-Chloro-N-phenylpropanamide 
3460-04-6 
AC1Q5NC1 
N-Phenyl-3-chloropropanamide 
SCHEMBL376976 
AC1L654E 
CHEMBL595535 
3-Chloro-N-phenylpropanamide # 
DTXSID40286583 
ACT05012 
ALBB-019007 
KS-00001AK6 
3-Chloro-N-phenylpropionamide 
ZINC1678739 
BBL018704 
MFCD00018971 
NSC-46582 
STK290969 
AKOS000264593 
MCULE-9335982208 
AJ-29538 
AM803743 
AS-37284 
3-Chloropropionanilide 
CJ-27490 
FT-0615497 
EN300-25810 
X-3634 
AE-641/00386063 
Z234855734 
AR-1F2756 
CID240404 
6971-07-9 
Propanamide, 3-chloro-N-phenyl- 
FRXJYUFHAXXSAL-UHFFFAOYSA-N 
3-Chloro-N-phenyl-propionamide 
NSC46582 
PubChem13915 
AC1Q3UG3 
Literature

Title: Synthesis and characterizations of novel quinoline derivatives having mixed ligand activities at the kappa and mu receptors: Potential therapeutic efficacy against morphine dependence.

Journal: Bioorganic & medicinal chemistry 20090815

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