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52854-14-5,MFCD00623055
Catalog No.:AA00DJXN
52854-14-5 | 4-CHLORO-6-METHOXY-5-NITROPYRIMIDINE
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Quantity
  
100mg
95+%
in stock  
$114.00
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250mg
95+%
in stock  
$183.00
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1g
95+%
in stock  
$456.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DJXN
Chemical Name:
4-CHLORO-6-METHOXY-5-NITROPYRIMIDINE
CAS Number:
52854-14-5
Molecular Formula:
C5H4ClN3O3
Molecular Weight:
189.5566
MDL Number:
MFCD00623055
IUPAC Name:
4-chloro-6-methoxy-5-nitropyrimidine
InChI:
InChI=1S/C5H4ClN3O3/c1-12-5-3(9(10)11)4(6)7-2-8-5/h2H,1H3
InChI Key:
YZTJXHWQWCLEJX-UHFFFAOYSA-N
SMILES:
COc1ncnc(c1[N+](=O)[O-])Cl
NSC Number:
73560
Properties
Computed Properties
 
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.555g/mol
Monoisotopic Mass:
188.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
4-chloro-6-methoxy-5-nitropyrimidine 
52854-14-5 
KS-00000S4E 
ZINC1699125 
MFCD00623055 
NSC-73560 
4-methoxy-5-nitro-6-chloropyrimidine 
AKOS000522026 
GS-5554 
MCULE-1890849897 
AJ-30387 
AK146238 
YZTJXHWQWCLEJX-UHFFFAOYSA-N 
BAS 00092609 
Pyrimidine, 4-chloro-6-methoxy-5-nitro- 
CS-0045706 
AR-1G1732 
CID252204 
ACN-027101 
3-Fluoro-4-trifluoromethylphenylboronic acid 
570-08-1 
864759-68-2 
4-Chloro-6-methoxy-5-nitro-pyrimidine 
NSC73560 
AC1L5LGW 
AC1Q1YF5 
SCHEMBL2786861 
CTK1H3802 
DTXSID60291159 
Literature

Title: Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity.

Journal: PloS one 20090101

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