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102128-87-0 | Propanamide, N-(2-bromo-2-propen-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)-
CAS No: 102128-87-0 Catalog No: AG0006OZ MDL No:
Product Description
Catalog Number:
AG0006OZ
Chemical Name:
Propanamide, N-(2-bromo-2-propen-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)-
CAS Number:
102128-87-0
Molecular Formula:
C7H6BrF6NO
Molecular Weight:
314.0231
IUPAC Name:
N-(2-bromoprop-2-enyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
InChI:
InChI=1S/C7H6BrF6NO/c1-3(8)2-15-5(16)4(6(9,10)11)7(12,13)14/h4H,1-2H2,(H,15,16)
InChI Key:
JJCKTWSLTCPDNE-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)C(F)(F)F)NCC(=C)Br
NSC Number:
172321
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.954g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.025g/mol
Monoisotopic Mass:
312.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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