Home Halogens 1h-pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-chloro-, ethyl ester

1h-pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-chloro-, ethyl ester

CAS No.:
1419101-46-4
Catalog Number:
AG001HDI
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
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Product Description
Catalog Number:
AG001HDI
Chemical Name:
1h-pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-chloro-, ethyl ester
CAS Number:
1419101-46-4
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
IUPAC Name:
ethyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
InChI:
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-5-13-9-7(11)3-4-12-8(6)9/h3-5,13H,2H2,1H3
InChI Key:
IOWKUCBQGBRNHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c1nccc2Cl
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties