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Home > Bromides > 1040345-76-3
1040345-76-3 | 1-Bromo-5-methyl-2-n-pentyloxybenzene
CAS No: 1040345-76-3 Catalog No: AG01EQNF MDL No:
Product Description
Catalog Number:
AG01EQNF
Chemical Name:
1-Bromo-5-methyl-2-n-pentyloxybenzene
CAS Number:
1040345-76-3
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
2-bromo-4-methyl-1-pentoxybenzene
InChI:
InChI=1S/C12H17BrO/c1-3-4-5-8-14-12-7-6-10(2)9-11(12)13/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
ZJTAUNCIMUGZAD-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Br)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.171g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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