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123732-04-7 | Benzene, 1-bromo-4-(heptyloxy)-
CAS No: 123732-04-7 Catalog No: AG000L1C MDL No:MFCD00173752
Product Description
Catalog Number:
AG000L1C
Chemical Name:
Benzene, 1-bromo-4-(heptyloxy)-
CAS Number:
123732-04-7
Molecular Formula:
C13H19BrO
Molecular Weight:
271.1934
MDL Number:
MFCD00173752
IUPAC Name:
1-bromo-4-heptoxybenzene
InChI:
InChI=1S/C13H19BrO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11H2,1H3
InChI Key:
DSCVEUSJTAFLBF-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)Br
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.198g/mol
Monoisotopic Mass:
270.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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