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138487-23-7 | Benzene, 1-(4-bromo-2-butyn-1-yl)-4-fluoro-
CAS No: 138487-23-7 Catalog No: AG0019A3 MDL No:
Product Description
Catalog Number:
AG0019A3
Chemical Name:
Benzene, 1-(4-bromo-2-butyn-1-yl)-4-fluoro-
CAS Number:
138487-23-7
Molecular Formula:
C10H8BrF
Molecular Weight:
227.0729
IUPAC Name:
1-(4-bromobut-2-ynyl)-4-fluorobenzene
InChI:
InChI=1S/C10H8BrF/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-7H,3,8H2
InChI Key:
ALESWLHCYOTRQC-UHFFFAOYSA-N
SMILES:
BrCC#CCc1ccc(cc1)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.076g/mol
Monoisotopic Mass:
225.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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