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1015610-55-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-chloro-
CAS No: 1015610-55-5 Catalog No: AG0004ST MDL No:MFCD09965895
Product Description
Catalog Number:
AG0004ST
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-chloro-
CAS Number:
1015610-55-5
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD09965895
IUPAC Name:
5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-5-3-11-7-4(1-2-10-7)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
MLXTUHYRDAIKGO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cnc2c1cc[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:
1.5
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