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113570-93-7 | Ethanethioamide, N-(4-bromo-2-chlorophenyl)-
CAS No: 113570-93-7 Catalog No: AG00091L MDL No:
Product Description
Catalog Number:
AG00091L
Chemical Name:
Ethanethioamide, N-(4-bromo-2-chlorophenyl)-
CAS Number:
113570-93-7
Molecular Formula:
C8H7BrClNS
Molecular Weight:
264.5699
IUPAC Name:
N-(4-bromo-2-chlorophenyl)ethanethioamide
InChI:
InChI=1S/C8H7BrClNS/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChI Key:
BZYKCOGMUVHMBE-UHFFFAOYSA-N
SMILES:
CC(=S)Nc1ccc(cc1Cl)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.917g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.565g/mol
Monoisotopic Mass:
262.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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