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1190321-93-7 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 5-chloro-
CAS No: 1190321-93-7 Catalog No: AG000I0G MDL No:MFCD12963492
Product Description
Catalog Number:
AG000I0G
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 5-chloro-
CAS Number:
1190321-93-7
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD12963492
IUPAC Name:
5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-6-2-1-5-7(11-6)4(3-10-5)8(12)13/h1-3,10H,(H,12,13)
InChI Key:
TZSOQTONJMMMMC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)c(c[nH]2)C(=O)O
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:
1.6
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