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800401-68-7 | 5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CAS No: 800401-68-7 Catalog No: AG005DIG MDL No:MFCD09878688
Product Description
Catalog Number:
AG005DIG
Chemical Name:
5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CAS Number:
800401-68-7
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD09878688
IUPAC Name:
5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-7-2-4-1-5(8(12)13)11-6(4)3-10-7/h1-3,11H,(H,12,13)
InChI Key:
MIJRRMLODIKPEA-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)cc([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:
1.8
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