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863870-91-1 | Benzofuran,2-butyl-4-chloro-
CAS No: 863870-91-1 Catalog No: AG004OC4 MDL No:
Product Description
Catalog Number:
AG004OC4
Chemical Name:
Benzofuran,2-butyl-4-chloro-
CAS Number:
863870-91-1
Molecular Formula:
C12H13ClO
Molecular Weight:
208.6840
IUPAC Name:
2-butyl-4-chloro-1-benzofuran
InChI:
InChI=1S/C12H13ClO/c1-2-3-5-9-8-10-11(13)6-4-7-12(10)14-9/h4,6-8H,2-3,5H2,1H3
InChI Key:
NJXYELLUALOLLF-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1)c(Cl)ccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.685g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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