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Home > Other Heterocycles > 7134-82-9
7134-82-9 | 8-phenyl-7-sulfanylidene-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-trien-9-one
CAS No: 7134-82-9 Catalog No: AG0068TG MDL No:
Product Description
Catalog Number:
AG0068TG
Chemical Name:
8-phenyl-7-sulfanylidene-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-trien-9-one
CAS Number:
7134-82-9
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
IUPAC Name:
3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one
InChI:
InChI=1S/C14H9NO2S/c16-14-15(10-6-2-1-3-7-10)13(18)11-8-4-5-9-12(11)17-14/h1-9H
InChI Key:
LSBVQBIIKZGFLM-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(=S)n1c1ccccc1
NSC Number:
227154
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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