Home Halogens 2-{5-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl}acetic acid hydrochloride

2-{5-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl}acetic acid hydrochloride

CAS No.:
2138155-01-6
Catalog Number:
AG01ELFF
Molecular Formula:
C9H8Cl2N2O2
Molecular Weight:
247.0780
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Product Description
Catalog Number:
AG01ELFF
Chemical Name:
2-{5-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl}acetic acid hydrochloride
CAS Number:
2138155-01-6
Molecular Formula:
C9H8Cl2N2O2
Molecular Weight:
247.0780
MDL Number:
MFCD31440628
IUPAC Name:
2-(5-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C9H7ClN2O2.ClH/c10-8-2-6-5(1-9(13)14)3-11-7(6)4-12-8;/h2-4,11H,1H2,(H,13,14);1H
InChI Key:
DNJBELULCYNJHH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(Cl)nc2.Cl
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.996g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.075g/mol
Monoisotopic Mass:
245.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties