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80171-37-5 | 1-Bromo-2-[(n-pentyloxy)methyl]benzene
CAS No: 80171-37-5 Catalog No: AG01EXH0 MDL No:
Product Description
Catalog Number:
AG01EXH0
Chemical Name:
1-Bromo-2-[(n-pentyloxy)methyl]benzene
CAS Number:
80171-37-5
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
IUPAC Name:
1-bromo-2-(pentoxymethyl)benzene
InChI:
InChI=1S/C12H17BrO/c1-2-3-6-9-14-10-11-7-4-5-8-12(11)13/h4-5,7-8H,2-3,6,9-10H2,1H3
InChI Key:
WJWANQRTZJQLOE-UHFFFAOYSA-N
SMILES:
CCCCCOCc1ccccc1Br
Properties
Complexity:
138
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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