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125555-85-3 | Benzamide, 3-amino-N-[2-[(2-chloroethyl)sulfonyl]ethyl]-
CAS No: 125555-85-3 Catalog No: AG000NUT MDL No:
Product Description
Catalog Number:
AG000NUT
Chemical Name:
Benzamide, 3-amino-N-[2-[(2-chloroethyl)sulfonyl]ethyl]-
CAS Number:
125555-85-3
Molecular Formula:
C11H15ClN2O3S
Molecular Weight:
290.7664
IUPAC Name:
3-amino-N-[2-(2-chloroethylsulfonyl)ethyl]benzamide
InChI:
InChI=1S/C11H15ClN2O3S/c12-4-6-18(16,17)7-5-14-11(15)9-2-1-3-10(13)8-9/h1-3,8H,4-7,13H2,(H,14,15)
InChI Key:
BXAJSXSYRXEALL-UHFFFAOYSA-N
SMILES:
ClCCS(=O)(=O)CCNC(=O)c1cccc(c1)N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.762g/mol
Monoisotopic Mass:
290.049g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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