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140240-50-2 | 1-Propyne, 3-(2-bromo-2-chloro-1,1-difluoroethoxy)-
CAS No: 140240-50-2 Catalog No: AG001C7L MDL No:
Product Description
Catalog Number:
AG001C7L
Chemical Name:
1-Propyne, 3-(2-bromo-2-chloro-1,1-difluoroethoxy)-
CAS Number:
140240-50-2
Molecular Formula:
C5H4BrClF2O
Molecular Weight:
233.4385
IUPAC Name:
3-(2-bromo-2-chloro-1,1-difluoroethoxy)prop-1-yne
InChI:
InChI=1S/C5H4BrClF2O/c1-2-3-10-5(8,9)4(6)7/h1,4H,3H2
InChI Key:
LXJAOBLNSFDDPD-UHFFFAOYSA-N
SMILES:
ClC(C(OCC#C)(F)F)Br
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.91g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.437g/mol
Monoisotopic Mass:
231.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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