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2600-67-1 | 1,3-Benzodioxole, 5-bromo-6-[[2-(2-butoxyethoxy)ethoxy]methyl]-
CAS No: 2600-67-1 Catalog No: AG002RC7 MDL No:
Product Description
Catalog Number:
AG002RC7
Chemical Name:
1,3-Benzodioxole, 5-bromo-6-[[2-(2-butoxyethoxy)ethoxy]methyl]-
CAS Number:
2600-67-1
Molecular Formula:
C16H23BrO5
Molecular Weight:
375.2548
IUPAC Name:
5-bromo-6-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxole
InChI:
InChI=1S/C16H23BrO5/c1-2-3-4-18-5-6-19-7-8-20-11-13-9-15-16(10-14(13)17)22-12-21-15/h9-10H,2-8,11-12H2,1H3
InChI Key:
VQJILJLOTBUSBY-UHFFFAOYSA-N
SMILES:
CCCCOCCOCCOCc1cc2OCOc2cc1Br
NSC Number:
31304
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.259g/mol
Monoisotopic Mass:
374.073g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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