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1167055-41-5 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 7-chloro-
CAS No: 1167055-41-5 Catalog No: AG000D19 MDL No:MFCD13184346
Product Description
Catalog Number:
AG000D19
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 7-chloro-
CAS Number:
1167055-41-5
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD13184346
IUPAC Name:
7-chloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-7-6-4(1-2-10-7)5(3-11-6)8(12)13/h1-3,11H,(H,12,13)
InChI Key:
HMQKIZPARXCHGF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1ccnc2Cl
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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