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903891-96-3 | 3-(Hydroxyimino)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-one
CAS No: 903891-96-3 Catalog No: AG00IG4K MDL No:MFCD08689794
Product Description
Catalog Number:
AG00IG4K
Chemical Name:
3-(Hydroxyimino)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-one
CAS Number:
903891-96-3
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD08689794
IUPAC Name:
3-(hydroxyamino)-1,4-benzothiazin-2-one
InChI:
InChI=1S/C8H6N2O2S/c11-8-7(10-12)9-5-3-1-2-4-6(5)13-8/h1-4,12H,(H,9,10)
InChI Key:
XGDUYBWNEVQFRU-UHFFFAOYSA-N
SMILES:
O/N=c\1/[nH]c2ccccc2sc1=O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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