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873451-09-3 | Benzoxazole, 5-chloro-2-(5,5-difluoro-4-pentenyl)-
CAS No: 873451-09-3 Catalog No: AG004HGQ MDL No:
Product Description
Catalog Number:
AG004HGQ
Chemical Name:
Benzoxazole, 5-chloro-2-(5,5-difluoro-4-pentenyl)-
CAS Number:
873451-09-3
Molecular Formula:
C12H10ClF2NO
Molecular Weight:
257.6637
IUPAC Name:
5-chloro-2-(5,5-difluoropent-4-enyl)-1,3-benzoxazole
InChI:
InChI=1S/C12H10ClF2NO/c13-8-5-6-10-9(7-8)16-12(17-10)4-2-1-3-11(14)15/h3,5-7H,1-2,4H2
InChI Key:
VQVAJZGSHVXRKY-UHFFFAOYSA-N
SMILES:
FC(=CCCCc1nc2c(o1)ccc(c2)Cl)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.665g/mol
Monoisotopic Mass:
257.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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