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414900-40-6 | 1-(3-Bromo-propoxy)-2-tert-butyl-benzene
CAS No: 414900-40-6 Catalog No: AG01EVVR MDL No:
Product Description
Catalog Number:
AG01EVVR
Chemical Name:
1-(3-Bromo-propoxy)-2-tert-butyl-benzene
CAS Number:
414900-40-6
Molecular Formula:
C13H19BrO
Molecular Weight:
271.1934
IUPAC Name:
1-(3-bromopropoxy)-2-tert-butylbenzene
InChI:
InChI=1S/C13H19BrO/c1-13(2,3)11-7-4-5-8-12(11)15-10-6-9-14/h4-5,7-8H,6,9-10H2,1-3H3
InChI Key:
XFEMNDNCOYAUEZ-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccccc1C(C)(C)C
Properties
Complexity:
174
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:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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