Home Halogens 4-bromo-1-ethyl-1H-pyrrole-2-carboxylic acid

4-bromo-1-ethyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1235438-94-4
Catalog Number:
AG019V4G
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
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Product Description
Catalog Number:
AG019V4G
Chemical Name:
4-bromo-1-ethyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1235438-94-4
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
MDL Number:
MFCD15209529
IUPAC Name:
4-bromo-1-ethylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H8BrNO2/c1-2-9-4-5(8)3-6(9)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
UXFLIFGDKJYOSY-UHFFFAOYSA-N
SMILES:
CCn1cc(cc1C(=O)O)Br
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.974g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.05g/mol
Monoisotopic Mass:
216.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties