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1016241-80-7,MFCD11518907
Catalog No.:AA0004X3
1016241-80-7 | 4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
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Purity
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250mg
95%
in stock  
$172.00   $120.00
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1g
95%
in stock  
$397.00   $278.00
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5g
95%
in stock  
$1,555.00   $1,089.00
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  • Technical Information
  • Properties
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  • Q & A
  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0004X3
Chemical Name:
4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CAS Number:
1016241-80-7
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD11518907
IUPAC Name:
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-5-3-1-4(7(12)13)11-6(3)10-2-9-5/h1-2H,(H,12,13)(H,9,10,11)
InChI Key:
NXTZXTJRFVPNNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ncnc2Cl
Properties
Computed Properties
 
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID 
1016241-80-7 
ANW-51140 
FCH894322 
MFCD11518907 
ZINC35269900 
AKOS006325571 
PB14931 
QC-4049 
RP08961 
AJ-90938 
AS-30903 
AK-27584 
BR-27584 
OR317009 
AB0034415 
AX8158813 
DB-058623 
ST1191219 
TR-000410 
4CH-008088 
AM20070669 
CS-0018822 
W-204419 
FT-0649554 
X8568 
C-8406 
A800423 
J-515128 
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid,4-chloro- 
4-chloranyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid 
101624-18-4 
C7H4ClN3O2 
7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 4-CHLORO- 
PubChem15985 
SCHEMBL3006533 
CTK4A0029 
DTXSID30671984 
KS-000003EM 
Literature
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