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1048919-09-0 | 5-(2-Chlorophenyl)-1H-pyrrole-2-carboxylic acid
CAS No: 1048919-09-0 Catalog No: AG01F9PA MDL No:
Product Description
Catalog Number:
AG01F9PA
Chemical Name:
5-(2-Chlorophenyl)-1H-pyrrole-2-carboxylic acid
CAS Number:
1048919-09-0
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
IUPAC Name:
5-(2-chlorophenyl)-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C11H8ClNO2/c12-8-4-2-1-3-7(8)9-5-6-10(13-9)11(14)15/h1-6,13H,(H,14,15)
InChI Key:
YXOYSUMGFCPQEY-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1ccc([nH]1)C(=O)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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