1H-Pyrrole-3-carboxaldehyde, 5-bromo-


Chemical Name: 1H-Pyrrole-3-carboxaldehyde, 5-bromo-
CAS Number: 881676-32-0
Product Number: AG0039J3(AGN-PC-0BY8PM)
Synonyms:
MDL No:
Molecular Formula: C5H4BrNO
Molecular Weight: 173.9954

Identification/Properties


Computed Properties
Molecular Weight:
173.997g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
172.948g/mol
Monoisotopic Mass:
172.948g/mol
Topological Polar Surface Area:
32.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
96.4
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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