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80154-77-4 | N-[2-(4-BROMOPHENYL)-1-THIOPHEN-2-YL-ETHYL]ACETAMIDE
CAS No: 80154-77-4 Catalog No: AG0054MC MDL No:
Product Description
Catalog Number:
AG0054MC
Chemical Name:
N-[2-(4-BROMOPHENYL)-1-THIOPHEN-2-YL-ETHYL]ACETAMIDE
CAS Number:
80154-77-4
Molecular Formula:
C14H14BrNOS
Molecular Weight:
324.2361
IUPAC Name:
N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide
InChI:
InChI=1S/C14H14BrNOS/c1-10(17)16-13(14-3-2-8-18-14)9-11-4-6-12(15)7-5-11/h2-8,13H,9H2,1H3,(H,16,17)
InChI Key:
YYPRSZYOLVPXFV-UHFFFAOYSA-N
SMILES:
CC(=O)NC(c1cccs1)Cc1ccc(cc1)Br
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.236g/mol
Monoisotopic Mass:
322.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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