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73774-32-0 | Benzothiazole,2-(chlorofluoromethyl)-
CAS No: 73774-32-0 Catalog No: AG005BD5 MDL No:
Product Description
Catalog Number:
AG005BD5
Chemical Name:
Benzothiazole,2-(chlorofluoromethyl)-
CAS Number:
73774-32-0
Molecular Formula:
C8H5ClFNS
Molecular Weight:
201.6484
IUPAC Name:
2-[chloro(fluoro)methyl]-1,3-benzothiazole
InChI:
InChI=1S/C8H5ClFNS/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H
InChI Key:
OVMZMDQIRQTAKR-UHFFFAOYSA-N
SMILES:
FC(c1nc2c(s1)cccc2)Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.643g/mol
Monoisotopic Mass:
200.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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