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414887-06-2 | 4-(2-Bromobenzyl)thiomorpholine
CAS No: 414887-06-2 Catalog No: AG01EVVL MDL No:
Product Description
Catalog Number:
AG01EVVL
Chemical Name:
4-(2-Bromobenzyl)thiomorpholine
CAS Number:
414887-06-2
Molecular Formula:
C11H14BrNS
Molecular Weight:
272.2046
IUPAC Name:
4-[(2-bromophenyl)methyl]thiomorpholine
InChI:
InChI=1S/C11H14BrNS/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChI Key:
YNLODKZMPGKLDF-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CN1CCSCC1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.204g/mol
Monoisotopic Mass:
271.003g/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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