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858489-87-9

858489-87-9 | 3-methyl-1,2-oxazole-4-sulfonyl chloride

CAS No: 858489-87-9 Catalog No: AG019ZI1 MDL No:MFCD12403820

Product Description

Catalog Number:
AG019ZI1
Chemical Name:
3-methyl-1,2-oxazole-4-sulfonyl chloride
CAS Number:
858489-87-9
Molecular Formula:
C4H4ClNO3S
Molecular Weight:
181.5975
MDL Number:
MFCD12403820
IUPAC Name:
3-methyl-1,2-oxazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H4ClNO3S/c1-3-4(2-9-6-3)10(5,7)8/h2H,1H3
InChI Key:
BNAOWTZDVYTZKK-UHFFFAOYSA-N
SMILES:
Cc1nocc1S(=O)(=O)Cl

Properties

Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.96g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.59g/mol
Monoisotopic Mass:
180.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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