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1000341-67-2 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-chloro-
CAS No: 1000341-67-2 Catalog No: AG0000HB MDL No:MFCD09749984
Product Description
Catalog Number:
AG0000HB
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-chloro-
CAS Number:
1000341-67-2
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD09749984
IUPAC Name:
6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-7-1-6-4(2-11-7)5(3-10-6)8(12)13/h1-3,10H,(H,12,13)
InChI Key:
RMSBIZUSTXPPBW-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)[nH]cc2C(=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:
1.5
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