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414893-81-5 | 4-(3-Bromobenzyl)thiomorpholine
CAS No: 414893-81-5 Catalog No: AG01EVVQ MDL No:
Product Description
Catalog Number:
AG01EVVQ
Chemical Name:
4-(3-Bromobenzyl)thiomorpholine
CAS Number:
414893-81-5
Molecular Formula:
C11H14BrNS
Molecular Weight:
272.2046
IUPAC Name:
4-[(3-bromophenyl)methyl]thiomorpholine
InChI:
InChI=1S/C11H14BrNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChI Key:
PWWDEQSIYFSCSF-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CN1CCSCC1
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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