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1353986-81-8 | 2-Chloro-N-[2-oxo-2-(1H-pyrrol-2-yl)-ethyl]-acetamide
CAS No: 1353986-81-8 Catalog No: AG01F89J MDL No:
Product Description
Catalog Number:
AG01F89J
Chemical Name:
2-Chloro-N-[2-oxo-2-(1H-pyrrol-2-yl)-ethyl]-acetamide
CAS Number:
1353986-81-8
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
IUPAC Name:
2-chloro-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide
InChI:
InChI=1S/C8H9ClN2O2/c9-4-8(13)11-5-7(12)6-2-1-3-10-6/h1-3,10H,4-5H2,(H,11,13)
InChI Key:
KHXXOQXKCZFTIQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCC(=O)c1ccc[nH]1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.622g/mol
Monoisotopic Mass:
200.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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