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30752-20-6 | Benzene, 1-bromo-4-(decyloxy)-
CAS No: 30752-20-6 Catalog No: AG003161 MDL No:
Product Description
Catalog Number:
AG003161
Chemical Name:
Benzene, 1-bromo-4-(decyloxy)-
CAS Number:
30752-20-6
Molecular Formula:
C16H25BrO
Molecular Weight:
313.2731
IUPAC Name:
1-bromo-4-decoxybenzene
InChI:
InChI=1S/C16H25BrO/c1-2-3-4-5-6-7-8-9-14-18-16-12-10-15(17)11-13-16/h10-13H,2-9,14H2,1H3
InChI Key:
KBAGYDCKVAKSFS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.279g/mol
Monoisotopic Mass:
312.109g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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