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Home Carboxys 4-Chloro-1h-pyrrole-2-carboxylic acid

4-Chloro-1h-pyrrole-2-carboxylic acid

CAS No.:
27746-03-8
Catalog Number:
AG002UNB
Molecular Formula:
C5H4ClNO2
Molecular Weight:
145.5438
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG002UNB
Chemical Name:
4-Chloro-1h-pyrrole-2-carboxylic acid
CAS Number:
27746-03-8
Molecular Formula:
C5H4ClNO2
Molecular Weight:
145.5438
MDL Number:
MFCD07343826
IUPAC Name:
4-chloro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4ClNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChI Key:
YOTWVAYGATYZPA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c[nH]1)Cl
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.993g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
145.542g/mol
Monoisotopic Mass:
144.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorganic & medicinal chemistry 20100715
Properties