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88061-54-5 | Glycine, N-[(5-bromo-1-naphthalenyl)thioxomethyl]-N-(4-chlorophenyl)-
CAS No: 88061-54-5 Catalog No: AG004FG3 MDL No:
Product Description
Catalog Number:
AG004FG3
Chemical Name:
Glycine, N-[(5-bromo-1-naphthalenyl)thioxomethyl]-N-(4-chlorophenyl)-
CAS Number:
88061-54-5
Molecular Formula:
C19H13BrClNO2S
Molecular Weight:
434.7340
IUPAC Name:
2-(N-(5-bromonaphthalene-1-carbothioyl)-4-chloroanilino)acetic acid
InChI:
InChI=1S/C19H13BrClNO2S/c20-17-6-2-3-14-15(17)4-1-5-16(14)19(25)22(11-18(23)24)13-9-7-12(21)8-10-13/h1-10H,11H2,(H,23,24)
InChI Key:
WZXWDAUHNXPVHG-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(=S)c1cccc2c1cccc2Br)c1ccc(cc1)Cl
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.954g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.732g/mol
Monoisotopic Mass:
432.954g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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