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113493-60-0 | 2-Propanol, 1-(S-phenylsulfonimidoyl)- (9CI)
CAS No: 113493-60-0 Catalog No: AG0008RX MDL No:
Product Description
Catalog Number:
AG0008RX
Chemical Name:
2-Propanol, 1-(S-phenylsulfonimidoyl)- (9CI)
CAS Number:
113493-60-0
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
1-(phenylsulfonimidoyl)propan-2-ol
InChI:
InChI=1S/C9H13NO2S/c1-8(11)7-13(10,12)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChI Key:
FJUSFBOTPDCITG-UHFFFAOYSA-N
SMILES:
CC(CS(=O)(=N)c1ccccc1)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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