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84533-25-5 | Glycine, N-[(5-chloro-1-naphthalenyl)thioxomethyl]-N-methyl-
CAS No: 84533-25-5 Catalog No: AG004RAP MDL No:
Product Description
Catalog Number:
AG004RAP
Chemical Name:
Glycine, N-[(5-chloro-1-naphthalenyl)thioxomethyl]-N-methyl-
CAS Number:
84533-25-5
Molecular Formula:
C14H12ClNO2S
Molecular Weight:
293.7686
IUPAC Name:
2-[(5-chloronaphthalene-1-carbothioyl)-methylamino]acetic acid
InChI:
InChI=1S/C14H12ClNO2S/c1-16(8-13(17)18)14(19)11-6-2-5-10-9(11)4-3-7-12(10)15/h2-7H,8H2,1H3,(H,17,18)
InChI Key:
SPKBKCPMUKPXCG-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(=S)c1cccc2c1cccc2Cl)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.765g/mol
Monoisotopic Mass:
293.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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