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30752-24-0 | 1-Bromo-4-iso-pentyloxybenzene
CAS No: 30752-24-0 Catalog No: AG01EUTZ MDL No:
Product Description
Catalog Number:
AG01EUTZ
Chemical Name:
1-Bromo-4-iso-pentyloxybenzene
CAS Number:
30752-24-0
Molecular Formula:
C11H15BrO
Molecular Weight:
243.1402
IUPAC Name:
1-bromo-4-(3-methylbutoxy)benzene
InChI:
InChI=1S/C11H15BrO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8H2,1-2H3
InChI Key:
XQTBEQSXZMOBIY-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1)Br)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.144g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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