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175203-35-7 | 4-Thiazolecarbonyl chloride, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-
CAS No: 175203-35-7 Catalog No: AG0020JI MDL No:
Product Description
Catalog Number:
AG0020JI
Chemical Name:
4-Thiazolecarbonyl chloride, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-
CAS Number:
175203-35-7
Molecular Formula:
C12H8ClNO3S
Molecular Weight:
281.7148
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carbonyl chloride
InChI:
InChI=1S/C12H8ClNO3S/c13-11(15)7-6-18-12(14-7)10-5-16-8-3-1-2-4-9(8)17-10/h1-4,6,10H,5H2
InChI Key:
ZPEAGTZLDSQPFE-UHFFFAOYSA-N
SMILES:
ClC(=O)c1csc(n1)C1COc2c(O1)cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.991g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.71g/mol
Monoisotopic Mass:
280.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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