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824938-67-2 | Benzenemethanamine, N-[2-bromo-2-(methylsulfonyl)ethyl]-
CAS No: 824938-67-2 Catalog No: AG004VIH MDL No:
Product Description
Catalog Number:
AG004VIH
Chemical Name:
Benzenemethanamine, N-[2-bromo-2-(methylsulfonyl)ethyl]-
CAS Number:
824938-67-2
Molecular Formula:
C10H14BrNO2S
Molecular Weight:
292.1927
IUPAC Name:
N-benzyl-2-bromo-2-methylsulfonylethanamine
InChI:
InChI=1S/C10H14BrNO2S/c1-15(13,14)10(11)8-12-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChI Key:
CWNPTIBKEQOYEN-UHFFFAOYSA-N
SMILES:
BrC(S(=O)(=O)C)CNCc1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.993g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.191g/mol
Monoisotopic Mass:
290.993g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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