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1190312-13-0 | 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-chloro-
CAS No: 1190312-13-0 Catalog No: AG000HJ0 MDL No:
Product Description
Catalog Number:
AG000HJ0
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-chloro-
CAS Number:
1190312-13-0
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
IUPAC Name:
3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-4-3-10-5-1-2-6(8(12)13)11-7(4)5/h1-3,10H,(H,12,13)
InChI Key:
JGSIZSKEMQQNFL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(n1)c(Cl)c[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:
1.6
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