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1167055-40-4 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 5,7-dichloro-
CAS No: 1167055-40-4 Catalog No: AG000D1A MDL No:
Product Description
Catalog Number:
AG000D1A
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 5,7-dichloro-
CAS Number:
1167055-40-4
Molecular Formula:
C8H4Cl2N2O2
Molecular Weight:
231.0356
IUPAC Name:
5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H4Cl2N2O2/c9-5-1-3-4(8(13)14)2-11-6(3)7(10)12-5/h1-2,11H,(H,13,14)
InChI Key:
MIRVXHZGFGMQAA-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(c1)c(c[nH]2)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.965g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.032g/mol
Monoisotopic Mass:
229.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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