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89058-36-6 | Furan, 3-(bromomethyl)-2-(4-chlorophenyl)tetrahydro-5-propyl-
CAS No: 89058-36-6 Catalog No: AG0041KB MDL No:
Product Description
Catalog Number:
AG0041KB
Chemical Name:
Furan, 3-(bromomethyl)-2-(4-chlorophenyl)tetrahydro-5-propyl-
CAS Number:
89058-36-6
Molecular Formula:
C14H18BrClO
Molecular Weight:
317.6491
IUPAC Name:
3-(bromomethyl)-2-(4-chlorophenyl)-5-propyloxolane
InChI:
InChI=1S/C14H18BrClO/c1-2-3-13-8-11(9-15)14(17-13)10-4-6-12(16)7-5-10/h4-7,11,13-14H,2-3,8-9H2,1H3
InChI Key:
ISDKNZNRRYSSOP-UHFFFAOYSA-N
SMILES:
BrCC1CC(OC1c1ccc(cc1)Cl)CCC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.651g/mol
Monoisotopic Mass:
316.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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