1H-Pyrrolo[2,3-b]pyridine-3-carboxylicacid, 4-chloro-


Chemical Name: 1H-Pyrrolo[2,3-b]pyridine-3-carboxylicacid, 4-chloro-
CAS Number: 1000340-37-3
Product Number: AG0000DX(AGN-PC-04Q68U)
Synonyms:
MDL No:
Molecular Formula: C8H5ClN2O2
Molecular Weight: 196.5905

Identification/Properties


Computed Properties
Molecular Weight:
196.59g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
196.004g/mol
Monoisotopic Mass:
196.004g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H302-H318
Precautionary Statements:
P280-P301+P312+P330-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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