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122453-98-9 | 1H-Pyrrole-3-carboxylic acid, 4-(4-chlorophenyl)-
CAS No: 122453-98-9 Catalog No: AG00179M MDL No:MFCD06411077
Product Description
Catalog Number:
AG00179M
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-(4-chlorophenyl)-
CAS Number:
122453-98-9
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD06411077
IUPAC Name:
4-(4-chlorophenyl)-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C11H8ClNO2/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15/h1-6,13H,(H,14,15)
InChI Key:
AQBPGMPHZORECB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c[nH]cc1C(=O)O
Properties
Complexity:
239
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:
2.5
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