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101623-69-2,MFCD19441847
Catalog No.:AA0004XI
101623-69-2 | Carbonic acid 4-nitro-phenyl ester 1-chloro-ethyl ester
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1g
98%
in stock  
$14.00   $10.00
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5g
98%
in stock  
$57.00   $40.00
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10g
98%
in stock  
$86.00   $60.00
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25g
98%
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$150.00   $105.00
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100g
98%
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$484.00   $339.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0004XI
Chemical Name:
Carbonic acid 4-nitro-phenyl ester 1-chloro-ethyl ester
CAS Number:
101623-69-2
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
MDL Number:
MFCD19441847
IUPAC Name:
1-chloroethyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C9H8ClNO5/c1-6(10)15-9(12)16-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3
InChI Key:
DXVQFTPXVZUWIF-UHFFFAOYSA-N
SMILES:
CC(OC(=O)Oc1ccc(cc1)[N+](=O)[O-])Cl
Properties
Computed Properties
 
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.009g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.615g/mol
Monoisotopic Mass:
245.009g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
101623-69-2 
1-chloroethyl (4-nitrophenyl) Carbonate 
DTXSID20441476 
DXVQFTPXVZUWIF-UHFFFAOYSA-N 
CS-M3307 
KS-00000SH5 
MFCD19441847 
1-Chloroethyl p-Nitrophenyl Carbonate 
1-Chloroethyl=4-nitrophenyl=carbonate 
AKOS024259015 
alpha-chloroethyl 4-nitrophenyl carbonate 
AS-10733 
1-chloroethyl 4-nitrophenyl carbonate 
alpha-chloroethyl para-nitrophenyl Carbonate 
ST2403409 
J3.610.296I 
Z-8113 
Carbonic acid,4-nitrophenyl ester 1-chloroethyl ester 
CID10538354 
Carbonic acid, 1-chloroethyl 4-nitrophenyl ester 
Carbonic acid 4-nitro-phenyl ester 1-chloro-ethyl ester 
AK158831 
AN-584/43503106 
ACMC-20m4nr 
SCHEMBL27126 
CTK0G8080 
Literature
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