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219-87-4 | Acenaphtho[3,4-d]thiazole
CAS No: 219-87-4 Catalog No: AG007OJ4 MDL No:
Product Description
Catalog Number:
AG007OJ4
Chemical Name:
Acenaphtho[3,4-d]thiazole
CAS Number:
219-87-4
Molecular Formula:
C13H7NS
Molecular Weight:
209.2664
IUPAC Name:
5-thia-3-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),3,7,9,11,13-heptaene
InChI:
InChI=1S/C13H7NS/c1-2-8-4-5-10-12(8)9(3-1)6-11-13(10)14-7-15-11/h1-7H
InChI Key:
ZPFUTADSJSNZKV-UHFFFAOYSA-N
SMILES:
c1cc2cc3scnc3c3c2c(c1)C=C3
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.266g/mol
Monoisotopic Mass:
209.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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