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1443329-63-2 | 4-(2-Chloro-4-fluorobenzyl)thiomorpholine
CAS No: 1443329-63-2 Catalog No: AG01FBNS MDL No:
Product Description
Catalog Number:
AG01FBNS
Chemical Name:
4-(2-Chloro-4-fluorobenzyl)thiomorpholine
CAS Number:
1443329-63-2
Molecular Formula:
C11H13ClFNS
Molecular Weight:
245.7440
IUPAC Name:
4-[(2-chloro-4-fluorophenyl)methyl]thiomorpholine
InChI:
InChI=1S/C11H13ClFNS/c12-11-7-10(13)2-1-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChI Key:
FKEZOMXDPCVBTH-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)CN1CCSCC1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.74g/mol
Monoisotopic Mass:
245.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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