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1190320-29-6

1190320-29-6 | 1H-Pyrrolo[2,3-c]pyridine-4-carboxylic acid, 3-chloro-

CAS No: 1190320-29-6 Catalog No: AG000HWL MDL No:

Product Description

Catalog Number:
AG000HWL
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-4-carboxylic acid, 3-chloro-
CAS Number:
1190320-29-6
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
IUPAC Name:
3-chloro-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-5-2-11-6-3-10-1-4(7(5)6)8(12)13/h1-3,11H,(H,12,13)
InChI Key:
VCSDOTWUEKEAFQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc2c1c(Cl)c[nH]2

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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