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1309933-89-8

1309933-89-8 | 1-Bromo-3-chloro-6-n-pentyloxybenzene

CAS No: 1309933-89-8 Catalog No: AG01ES4O MDL No:

Product Description

Catalog Number:
AG01ES4O
Chemical Name:
1-Bromo-3-chloro-6-n-pentyloxybenzene
CAS Number:
1309933-89-8
Molecular Formula:
C11H14BrClO
Molecular Weight:
277.5853
IUPAC Name:
2-bromo-4-chloro-1-pentoxybenzene
InChI:
InChI=1S/C11H14BrClO/c1-2-3-4-7-14-11-6-5-9(13)8-10(11)12/h5-6,8H,2-4,7H2,1H3
InChI Key:
MJDBIYVMCNHVGB-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Br)Cl

Properties

Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.992g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.586g/mol
Monoisotopic Mass:
275.992g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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