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102585-35-3 | Acetamide, N-(2-bromo-2-propen-1-yl)-2,2,2-trifluoro-
CAS No: 102585-35-3 Catalog No: AG0007UL MDL No:
Product Description
Catalog Number:
AG0007UL
Chemical Name:
Acetamide, N-(2-bromo-2-propen-1-yl)-2,2,2-trifluoro-
CAS Number:
102585-35-3
Molecular Formula:
C5H5BrF3NO
Molecular Weight:
231.9985
IUPAC Name:
N-(2-bromoprop-2-enyl)-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C5H5BrF3NO/c1-3(6)2-10-4(11)5(7,8)9/h1-2H2,(H,10,11)
InChI Key:
YDIHAWZEBRMEBT-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)NCC(=C)Br
NSC Number:
168541
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.951g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232g/mol
Monoisotopic Mass:
230.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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