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113399-22-7 | Benzene, 1-(1-chloro-2-fluoroethyl)-4-fluoro-
CAS No: 113399-22-7 Catalog No: AG0008EV MDL No:
Product Description
Catalog Number:
AG0008EV
Chemical Name:
Benzene, 1-(1-chloro-2-fluoroethyl)-4-fluoro-
CAS Number:
113399-22-7
Molecular Formula:
C8H7ClF2
Molecular Weight:
176.5910
IUPAC Name:
1-(1-chloro-2-fluoroethyl)-4-fluorobenzene
InChI:
InChI=1S/C8H7ClF2/c9-8(5-10)6-1-3-7(11)4-2-6/h1-4,8H,5H2
InChI Key:
NHYBHNGWKMWZOW-UHFFFAOYSA-N
SMILES:
FCC(c1ccc(cc1)F)Cl
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.591g/mol
Monoisotopic Mass:
176.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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