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80171-38-6 | 1-Bromo-2-[(n-hexyloxy)methyl]benzene
CAS No: 80171-38-6 Catalog No: AG01EXH1 MDL No:
Product Description
Catalog Number:
AG01EXH1
Chemical Name:
1-Bromo-2-[(n-hexyloxy)methyl]benzene
CAS Number:
80171-38-6
Molecular Formula:
C13H19BrO
Molecular Weight:
271.1934
IUPAC Name:
1-bromo-2-(hexoxymethyl)benzene
InChI:
InChI=1S/C13H19BrO/c1-2-3-4-7-10-15-11-12-8-5-6-9-13(12)14/h5-6,8-9H,2-4,7,10-11H2,1H3
InChI Key:
JWBQARWZZXGHKG-UHFFFAOYSA-N
SMILES:
CCCCCCOCc1ccccc1Br
Properties
Complexity:
150
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:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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