4-BROMO-1-METHYL-1H-PYRROLE-2-CARBONITRILE


Chemical Name: 4-BROMO-1-METHYL-1H-PYRROLE-2-CARBONITRILE
CAS Number: 1289207-30-2
Product Number: AG000YJY(AGN-PC-0WAJ11)
Synonyms:
MDL No:
Molecular Formula: C6H5BrN2
Molecular Weight: 185.0213

Identification/Properties


Computed Properties
Molecular Weight:
185.02g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
183.96361g/mol
Monoisotopic Mass:
183.96361g/mol
Topological Polar Surface Area:
28.7Ų
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
148
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

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NMR Spectrum


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