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Home > Bromides > 1409185-73-4
1409185-73-4 | 1-Bromo-3-methyl-4-iso-pentyloxybenzene
CAS No: 1409185-73-4 Catalog No: AG01ETS0 MDL No:
Product Description
Catalog Number:
AG01ETS0
Chemical Name:
1-Bromo-3-methyl-4-iso-pentyloxybenzene
CAS Number:
1409185-73-4
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
4-bromo-2-methyl-1-(3-methylbutoxy)benzene
InChI:
InChI=1S/C12H17BrO/c1-9(2)6-7-14-12-5-4-11(13)8-10(12)3/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
KHTHAIXJOKEJSN-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1C)Br)C
Properties
Complexity:
158
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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