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Home Carboxys 4-Bromo-1H-pyrrole-2-carboxylic acid

4-Bromo-1H-pyrrole-2-carboxylic acid

CAS No.:
27746-02-7
Catalog Number:
AG002UNC
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$75
- +
10g
97%
In Stock USA
United States
$130
- +
Product Description
Catalog Number:
AG002UNC
Chemical Name:
4-Bromo-1H-pyrrole-2-carboxylic acid
CAS Number:
27746-02-7
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
MDL Number:
MFCD00832862
IUPAC Name:
4-bromo-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChI Key:
YUWKEVJEMKKVGQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c[nH]1)Br
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.943g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.996g/mol
Monoisotopic Mass:
188.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Isolation and synthesis of 4-bromopyrrole-2-carboxyarginine and 4-bromopyrrole-2-carboxy-N(epsilon)-lysine from the marine sponge Stylissa caribica. Journal of natural products 20060101
Brominated pyrrole alkaloids from marine Agelas sponges reduce depolarization-induced cellular calcium elevation. Toxicon : official journal of the International Society on Toxinology 20040701
Properties