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88646-93-9 | Furan, 2-(9-bromononyl)-3-methyl-5-pentyl-
CAS No: 88646-93-9 Catalog No: AG0049CK MDL No:
Product Description
Catalog Number:
AG0049CK
Chemical Name:
Furan, 2-(9-bromononyl)-3-methyl-5-pentyl-
CAS Number:
88646-93-9
Molecular Formula:
C19H33BrO
Molecular Weight:
357.3687
IUPAC Name:
2-(9-bromononyl)-3-methyl-5-pentylfuran
InChI:
InChI=1S/C19H33BrO/c1-3-4-10-13-18-16-17(2)19(21-18)14-11-8-6-5-7-9-12-15-20/h16H,3-15H2,1-2H3
InChI Key:
LCYQEITWEQXUMP-UHFFFAOYSA-N
SMILES:
CCCCCc1oc(c(c1)C)CCCCCCCCCBr
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.171g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.376g/mol
Monoisotopic Mass:
356.171g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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