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877080-73-4 | Benzene, 1-(3-bromo-3,3-difluoro-1-propynyl)-4-(trifluoromethyl)-
CAS No: 877080-73-4 Catalog No: AG004GHZ MDL No:
Product Description
Catalog Number:
AG004GHZ
Chemical Name:
Benzene, 1-(3-bromo-3,3-difluoro-1-propynyl)-4-(trifluoromethyl)-
CAS Number:
877080-73-4
Molecular Formula:
C10H4BrF5
Molecular Weight:
299.0348
IUPAC Name:
1-(3-bromo-3,3-difluoroprop-1-ynyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C10H4BrF5/c11-9(12,13)6-5-7-1-3-8(4-2-7)10(14,15)16/h1-4H
InChI Key:
QTXVCFYTTRYMPM-UHFFFAOYSA-N
SMILES:
FC(C#Cc1ccc(cc1)C(F)(F)F)(Br)F
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.942g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.038g/mol
Monoisotopic Mass:
297.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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