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87975-12-0 | Ethanesulfonic acid, 1-bromo-2-(cyclohexylamino)-, phenyl ester
CAS No: 87975-12-0 Catalog No: AG004LWO MDL No:
Product Description
Catalog Number:
AG004LWO
Chemical Name:
Ethanesulfonic acid, 1-bromo-2-(cyclohexylamino)-, phenyl ester
CAS Number:
87975-12-0
Molecular Formula:
C14H20BrNO3S
Molecular Weight:
362.2825
IUPAC Name:
phenyl 1-bromo-2-(cyclohexylamino)ethanesulfonate
InChI:
InChI=1S/C14H20BrNO3S/c15-14(11-16-12-7-3-1-4-8-12)20(17,18)19-13-9-5-2-6-10-13/h2,5-6,9-10,12,14,16H,1,3-4,7-8,11H2
InChI Key:
ROEYTIARHNJWSY-UHFFFAOYSA-N
SMILES:
BrC(S(=O)(=O)Oc1ccccc1)CNC1CCCCC1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.282g/mol
Monoisotopic Mass:
361.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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