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73455-00-2 | Methanol, chloro-,sulfate (2:1) (9CI)
CAS No: 73455-00-2 Catalog No: AG005DGS MDL No:MFCD18826524
Product Description
Catalog Number:
AG005DGS
Chemical Name:
Methanol, chloro-,sulfate (2:1) (9CI)
CAS Number:
73455-00-2
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD18826524
IUPAC Name:
2-methyl-1,3-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C8H7NO2S/c1-6-9-7-4-2-3-5-8(7)12(6,10)11/h2-5H,1H3
InChI Key:
RORQACDEPMUHLO-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(S1(=O)=O)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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