Home Halogens 5-chloro-1H-pyrrole-2-carboxylic acid

5-chloro-1H-pyrrole-2-carboxylic acid

CAS No.:
27746-04-9
Catalog Number:
AG01AE9N
Molecular Formula:
C5H4ClNO2
Molecular Weight:
145.5438
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Product Description
Catalog Number:
AG01AE9N
Chemical Name:
5-chloro-1H-pyrrole-2-carboxylic acid
CAS Number:
27746-04-9
Molecular Formula:
C5H4ClNO2
Molecular Weight:
145.5438
MDL Number:
MFCD19230069
IUPAC Name:
5-chloro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4ClNO2/c6-4-2-1-3(7-4)5(8)9/h1-2,7H,(H,8,9)
InChI Key:
SWLUNFAAJVHVFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc([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:
1.5  
Properties