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144331-40-8 | Benzene, 1-(2-bromoethoxy)-4-(1-methylpropyl)-
CAS No: 144331-40-8 Catalog No: AG001JCL MDL No:
Product Description
Catalog Number:
AG001JCL
Chemical Name:
Benzene, 1-(2-bromoethoxy)-4-(1-methylpropyl)-
CAS Number:
144331-40-8
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
1-(2-bromoethoxy)-4-butan-2-ylbenzene
InChI:
InChI=1S/C12H17BrO/c1-3-10(2)11-4-6-12(7-5-11)14-9-8-13/h4-7,10H,3,8-9H2,1-2H3
InChI Key:
LPHJLEIMYYTTDY-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1)C(CC)C
Properties
Complexity:
141
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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