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87975-27-7 | Ethanesulfonamide, 1-bromo-2-(cyclohexylamino)-N,N-diethyl-
CAS No: 87975-27-7 Catalog No: AG004IF3 MDL No:
Product Description
Catalog Number:
AG004IF3
Chemical Name:
Ethanesulfonamide, 1-bromo-2-(cyclohexylamino)-N,N-diethyl-
CAS Number:
87975-27-7
Molecular Formula:
C12H25BrN2O2S
Molecular Weight:
341.3081
IUPAC Name:
1-bromo-2-(cyclohexylamino)-N,N-diethylethanesulfonamide
InChI:
InChI=1S/C12H25BrN2O2S/c1-3-15(4-2)18(16,17)12(13)10-14-11-8-6-5-7-9-11/h11-12,14H,3-10H2,1-2H3
InChI Key:
KPTQZJXABHJGJM-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)C(CNC1CCCCC1)Br)CC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.308g/mol
Monoisotopic Mass:
340.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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