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129768-48-5 | Benzamide, 2-[(2-chloro-1-oxopropyl)amino]-, (S)- (9CI)
CAS No: 129768-48-5 Catalog No: AG000TOL MDL No:MFCD07355815
Product Description
Catalog Number:
AG000TOL
Chemical Name:
Benzamide, 2-[(2-chloro-1-oxopropyl)amino]-, (S)- (9CI)
CAS Number:
129768-48-5
Molecular Formula:
C10H11ClN2O2
Molecular Weight:
226.6595
MDL Number:
MFCD07355815
IUPAC Name:
2-(2-chloropropanoylamino)benzamide
InChI:
InChI=1S/C10H11ClN2O2/c1-6(11)10(15)13-8-5-3-2-4-7(8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15)
InChI Key:
XWCPEJWYBOULRM-UHFFFAOYSA-N
SMILES:
O=C([C@@H](Cl)C)Nc1ccccc1C(=O)N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.66g/mol
Monoisotopic Mass:
226.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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