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139200-74-1 | Benzene, 2,3-bis(bromomethyl)-1,4-bis(hexyloxy)-
CAS No: 139200-74-1 Catalog No: AG001AH4 MDL No:
Product Description
Catalog Number:
AG001AH4
Chemical Name:
Benzene, 2,3-bis(bromomethyl)-1,4-bis(hexyloxy)-
CAS Number:
139200-74-1
Molecular Formula:
C20H32Br2O2
Molecular Weight:
464.2749
IUPAC Name:
2,3-bis(bromomethyl)-1,4-dihexoxybenzene
InChI:
InChI=1S/C20H32Br2O2/c1-3-5-7-9-13-23-19-11-12-20(18(16-22)17(19)15-21)24-14-10-8-6-4-2/h11-12H,3-10,13-16H2,1-2H3
InChI Key:
SWDTWUUWVJHFIQ-UHFFFAOYSA-N
SMILES:
BrCc1c(OCCCCCC)ccc(c1CBr)OCCCCCC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.282g/mol
Monoisotopic Mass:
462.077g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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