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934406-68-5,MFCD16547576
Catalog No.:AA01A8UA
934406-68-5 | 1-(3-chloropyridin-2-yl)-1H-pyrrole-2-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$342.00
- +
250mg
95.0%
3 weeks  
$474.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA01A8UA
Chemical Name:
1-(3-chloropyridin-2-yl)-1H-pyrrole-2-carboxylic acid
CAS Number:
934406-68-5
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD16547576
IUPAC Name:
1-(3-chloropyridin-2-yl)pyrrole-2-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O2/c11-7-3-1-5-12-9(7)13-6-2-4-8(13)10(14)15/h1-6H,(H,14,15)
InChI Key:
YCBHRBIFQKGBGR-UHFFFAOYSA-N
SMILES:
Clc1cccnc1n1cccc1C(=O)O
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
1-(3-chloropyridin-2-yl)-1H-pyrrole-2-carboxylic acid 
934406-68-5 
AC1Q73PN 
SCHEMBL951402 
ZINC47844123 
AKOS026727739 
MCULE-9071243477 
NE61078 
EN300-62809 
Z1172115966 
Literature
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