Home Halogens 4,5-Dichloro-1H-pyrrole-2-carboxylic acid

4,5-Dichloro-1H-pyrrole-2-carboxylic acid

CAS No.:
39209-94-4
Catalog Number:
AG00CTBL
Molecular Formula:
C5H3Cl2NO2
Molecular Weight:
179.9888
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$1577
- +
Product Description
Catalog Number:
AG00CTBL
Chemical Name:
4,5-Dichloro-1H-pyrrole-2-carboxylic acid
CAS Number:
39209-94-4
Molecular Formula:
C5H3Cl2NO2
Molecular Weight:
179.9888
MDL Number:
MFCD08691218
IUPAC Name:
4,5-dichloro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H3Cl2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10)
InChI Key:
MNMMKOBJLQMWLQ-UHFFFAOYSA-N
SMILES:
Clc1[nH]c(cc1Cl)C(=O)O
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.954g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.984g/mol
Monoisotopic Mass:
178.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorganic & medicinal chemistry 20100715
Properties