1H-Indole-3-carboxylicacid, 4-bromo-


Chemical Name: 1H-Indole-3-carboxylicacid, 4-bromo-
CAS Number: 110811-31-9
Product Number: AG007C2Y(AGN-PC-0000A4)
Synonyms:
MDL No:
Molecular Formula: C9H6BrNO2
Molecular Weight: 240.0534

Identification/Properties


Computed Properties
Molecular Weight:
240.056g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
238.958g/mol
Monoisotopic Mass:
238.958g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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