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1191997-63-3 | 1H-Pyrrole-1-acetic acid, 4-(2-chlorophenoxy)-2,5-dihydro-α-(2-methylpropyl)-2-oxo-, methyl ester, (αS)-
CAS No: 1191997-63-3 Catalog No: AG000IBJ MDL No:
Product Description
Catalog Number:
AG000IBJ
Chemical Name:
1H-Pyrrole-1-acetic acid, 4-(2-chlorophenoxy)-2,5-dihydro-α-(2-methylpropyl)-2-oxo-, methyl ester, (αS)-
CAS Number:
1191997-63-3
Molecular Formula:
C17H20ClNO4
Molecular Weight:
337.7980
IUPAC Name:
methyl (2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoate
InChI:
InChI=1S/C17H20ClNO4/c1-11(2)8-14(17(21)22-3)19-10-12(9-16(19)20)23-15-7-5-4-6-13(15)18/h4-7,9,11,14H,8,10H2,1-3H3/t14-/m0/s1
InChI Key:
BMVAWDBPBCLLQQ-AWEZNQCLSA-N
SMILES:
COC(=O)[C@@H](N1CC(=CC1=O)Oc1ccccc1Cl)CC(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.8g/mol
Monoisotopic Mass:
337.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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