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179894-11-2 | Benzene, 1-bromo-4-(decyloxy)-2-methyl-
CAS No: 179894-11-2 Catalog No: AG0027BX MDL No:
Product Description
Catalog Number:
AG0027BX
Chemical Name:
Benzene, 1-bromo-4-(decyloxy)-2-methyl-
CAS Number:
179894-11-2
Molecular Formula:
C17H27BrO
Molecular Weight:
327.2997
IUPAC Name:
1-bromo-4-decoxy-2-methylbenzene
InChI:
InChI=1S/C17H27BrO/c1-3-4-5-6-7-8-9-10-13-19-16-11-12-17(18)15(2)14-16/h11-12,14H,3-10,13H2,1-2H3
InChI Key:
FLFSQUONXLZPSK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(c(c1)C)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.306g/mol
Monoisotopic Mass:
326.125g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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