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87388-59-8 | 1H-Pyrrole, 3-(4-chlorophenyl)-4-(methylsulfonyl)-
CAS No: 87388-59-8 Catalog No: AG004NTC MDL No:
Product Description
Catalog Number:
AG004NTC
Chemical Name:
1H-Pyrrole, 3-(4-chlorophenyl)-4-(methylsulfonyl)-
CAS Number:
87388-59-8
Molecular Formula:
C11H10ClNO2S
Molecular Weight:
255.7206
IUPAC Name:
3-(4-chlorophenyl)-4-methylsulfonyl-1H-pyrrole
InChI:
InChI=1S/C11H10ClNO2S/c1-16(14,15)11-7-13-6-10(11)8-2-4-9(12)5-3-8/h2-7,13H,1H3
InChI Key:
IAULMKOSRLZFPT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c[nH]cc1S(=O)(=O)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.716g/mol
Monoisotopic Mass:
255.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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