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87975-10-8 | Ethanesulfonic acid, 1-bromo-2-[(1-methylethyl)amino]-, phenyl ester
CAS No: 87975-10-8 Catalog No: AG004LWP MDL No:
Product Description
Catalog Number:
AG004LWP
Chemical Name:
Ethanesulfonic acid, 1-bromo-2-[(1-methylethyl)amino]-, phenyl ester
CAS Number:
87975-10-8
Molecular Formula:
C11H16BrNO3S
Molecular Weight:
322.2186
IUPAC Name:
phenyl 1-bromo-2-(propan-2-ylamino)ethanesulfonate
InChI:
InChI=1S/C11H16BrNO3S/c1-9(2)13-8-11(12)17(14,15)16-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
InChI Key:
WGYGSKQXECMUOV-UHFFFAOYSA-N
SMILES:
BrC(S(=O)(=O)Oc1ccccc1)CNC(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.003g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.217g/mol
Monoisotopic Mass:
321.003g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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