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137628-18-3 | Pyridine, 3-bromo-5-chloro-2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-
CAS No: 137628-18-3 Catalog No: AG0013O1 MDL No:
Product Description
Catalog Number:
AG0013O1
Chemical Name:
Pyridine, 3-bromo-5-chloro-2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-
CAS Number:
137628-18-3
Molecular Formula:
C14H19BrClNO2
Molecular Weight:
348.6632
IUPAC Name:
3-bromo-5-chloro-2-[4-(oxan-2-yloxy)butyl]pyridine
InChI:
InChI=1S/C14H19BrClNO2/c15-12-9-11(16)10-17-13(12)5-1-3-7-18-14-6-2-4-8-19-14/h9-10,14H,1-8H2
InChI Key:
MWIFZWFVGGKBSC-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(c1)Br)CCCCOC1CCCCO1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.029g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.665g/mol
Monoisotopic Mass:
347.029g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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