Home Halogens 5-bromo-1-methyl-1H-pyrrole-3-carboxylic acid

5-bromo-1-methyl-1H-pyrrole-3-carboxylic acid

CAS No.:
1515982-14-5
Catalog Number:
AG01DVHO
Molecular Formula:
C6H6BrNO2
Molecular Weight:
204.0213
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Product Description
Catalog Number:
AG01DVHO
Chemical Name:
5-bromo-1-methyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1515982-14-5
Molecular Formula:
C6H6BrNO2
Molecular Weight:
204.0213
MDL Number:
MFCD21798894
IUPAC Name:
5-bromo-1-methylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C6H6BrNO2/c1-8-3-4(6(9)10)2-5(8)7/h2-3H,1H3,(H,9,10)
InChI Key:
AKKMKWRLBFUUMQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c(c1)Br)C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.958g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.023g/mol
Monoisotopic Mass:
202.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties