DL-Alanine, N-(4-chlorobenzoyl)-


Chemical Name: DL-Alanine, N-(4-chlorobenzoyl)-
CAS Number: 108462-95-9
Product Number: AG007URA(AGN-PC-0K2G6Y)
Synonyms:
MDL No:
Molecular Formula: C10H10ClNO3
Molecular Weight: 227.6443

Identification/Properties


Computed Properties
Molecular Weight:
227.644g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
227.035g/mol
Monoisotopic Mass:
227.035g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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