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153407-09-1 | 1-Bromo-4-[(n-pentyloxy)methyl]benzene
CAS No: 153407-09-1 Catalog No: AG01EU8R MDL No:
Product Description
Catalog Number:
AG01EU8R
Chemical Name:
1-Bromo-4-[(n-pentyloxy)methyl]benzene
CAS Number:
153407-09-1
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
1-bromo-4-(pentoxymethyl)benzene
InChI:
InChI=1S/C12H17BrO/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8H,2-4,9-10H2,1H3
InChI Key:
KCIVPZDGEOSNDK-UHFFFAOYSA-N
SMILES:
CCCCCOCc1ccc(cc1)Br
Properties
Complexity:
130
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:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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