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338403-65-9,MFCD00138791
Catalog No.:AA00IXTV
338403-65-9 | (2E)-3-[4-(2-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
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1mg
>90%
3 weeks  
$150.00
- +
5mg
>90%
3 weeks  
$162.00
- +
10mg
>90%
3 weeks  
$185.00
- +
500mg
>90%
3 weeks  
$610.00
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1g
>90%
3 weeks  
$1,120.00
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Technical Information
Catalog Number:
AA00IXTV
Chemical Name:
(2E)-3-[4-(2-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
CAS Number:
338403-65-9
Molecular Formula:
C15H10ClNO5
Molecular Weight:
319.6966
MDL Number:
MFCD00138791
IUPAC Name:
3-[4-(2-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H10ClNO5/c16-11-3-1-2-4-13(11)22-14-7-5-10(6-8-15(18)19)9-12(14)17(20)21/h1-9H,(H,18,19)
InChI Key:
FDVCVWKHJRGXPG-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Oc1ccccc1Cl
Properties
Computed Properties
 
Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.025g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.697g/mol
Monoisotopic Mass:
319.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.9  

Synonyms
 
338403-65-9 
3-[4-(2-chlorophenoxy)-3-nitrophenyl]acrylic acid 
AC1LSXXR 
(2E)-3-[4-(2-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid 
AKOS030244414 
MCULE-7479396144 
KS-00001V90 
3-[4-(2-chlorophenoxy)-3-nitrophenyl]prop-2-enoic acid 
CID1473218 
3-[4-(2-chlorophenoxy)-3-nitro-phenyl]prop-2-enoic Acid 
Literature
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