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87975-28-8 | Ethanesulfonamide, 1-bromo-N,N-diethyl-2-[(phenylmethyl)amino]-
CAS No: 87975-28-8 Catalog No: AG004IF2 MDL No:
Product Description
Catalog Number:
AG004IF2
Chemical Name:
Ethanesulfonamide, 1-bromo-N,N-diethyl-2-[(phenylmethyl)amino]-
CAS Number:
87975-28-8
Molecular Formula:
C13H21BrN2O2S
Molecular Weight:
349.2870
IUPAC Name:
2-(benzylamino)-1-bromo-N,N-diethylethanesulfonamide
InChI:
InChI=1S/C13H21BrN2O2S/c1-3-16(4-2)19(17,18)13(14)11-15-10-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3
InChI Key:
YDUCWBHYJOEXOG-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)C(CNCc1ccccc1)Br)CC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.287g/mol
Monoisotopic Mass:
348.051g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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