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Home > Fluorides > 866010-15-3
866010-15-3 | 1-[(3,4-difluorophenyl)methyl]-3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione
CAS No: 866010-15-3 Catalog No: AG00IT9S MDL No:MFCD05670336
Product Description
Catalog Number:
AG00IT9S
Chemical Name:
1-[(3,4-difluorophenyl)methyl]-3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione
CAS Number:
866010-15-3
Molecular Formula:
C15H11F2NO3S
Molecular Weight:
323.3145
MDL Number:
MFCD05670336
IUPAC Name:
1-[(3,4-difluorophenyl)methyl]-2,2-dioxo-2λ6,1-benzothiazin-4-one
InChI:
InChI=1S/C15H11F2NO3S/c16-12-6-5-10(7-13(12)17)8-18-14-4-2-1-3-11(14)15(19)9-22(18,20)21/h1-7H,8-9H2
InChI Key:
PXPQZSJRTQEVOZ-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)N(c2c1cccc2)Cc1ccc(c(c1)F)F
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.314g/mol
Monoisotopic Mass:
323.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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