4-bromo-1-methylpyrrole-2-carboxylic acid


Chemical Name: 4-bromo-1-methylpyrrole-2-carboxylic acid
CAS Number: 875160-43-3
Product Number: AG00H0JN(AGN-PC-0MJRDU)
Synonyms:
MDL No: MFCD07838483
Molecular Formula: C6H6BrNO2
Molecular Weight: 204.0213

Identification/Properties


Computed Properties
Molecular Weight:
204.023g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
202.958g/mol
Monoisotopic Mass:
202.958g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
151
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


NMR Spectrum


Other Analytical Data


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