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87975-25-5 | Ethanesulfonamide, 1-bromo-N,N-diethyl-2-[(1-methylethyl)amino]-
CAS No: 87975-25-5 Catalog No: AG004IF4 MDL No:
Product Description
Catalog Number:
AG004IF4
Chemical Name:
Ethanesulfonamide, 1-bromo-N,N-diethyl-2-[(1-methylethyl)amino]-
CAS Number:
87975-25-5
Molecular Formula:
C9H21BrN2O2S
Molecular Weight:
301.2442
IUPAC Name:
1-bromo-N,N-diethyl-2-(propan-2-ylamino)ethanesulfonamide
InChI:
InChI=1S/C9H21BrN2O2S/c1-5-12(6-2)15(13,14)9(10)7-11-8(3)4/h8-9,11H,5-7H2,1-4H3
InChI Key:
RAYKDBIVJUXOBO-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)C(CNC(C)C)Br)CC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.243g/mol
Monoisotopic Mass:
300.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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