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126429-09-2

126429-09-2 | 4-Oxazolemethanol, 2-(dichloromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-

CAS No: 126429-09-2 Catalog No: AG000SSS MDL No:

Product Description

Catalog Number:
AG000SSS
Chemical Name:
4-Oxazolemethanol, 2-(dichloromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-
CAS Number:
126429-09-2
Molecular Formula:
C12H13Cl2NO4S
Molecular Weight:
338.2069
IUPAC Name:
[2-(dichloromethyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C12H13Cl2NO4S/c1-20(17,18)8-4-2-7(3-5-8)10-9(6-16)15-12(19-10)11(13)14/h2-5,9-11,16H,6H2,1H3
InChI Key:
FDEUVCZXCFSQEE-UHFFFAOYSA-N
SMILES:
OCC1N=C(OC1c1ccc(cc1)S(=O)(=O)C)C(Cl)Cl

Properties

Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.994g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.199g/mol
Monoisotopic Mass:
336.994g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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