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Home > Fluorides > 1190322-04-3
1190322-04-3 | Benzothiazole, 5,7-difluoro-
CAS No: 1190322-04-3 Catalog No: AG000I06 MDL No:
Product Description
Catalog Number:
AG000I06
Chemical Name:
Benzothiazole, 5,7-difluoro-
CAS Number:
1190322-04-3
Molecular Formula:
C7H3F2NS
Molecular Weight:
171.1672
IUPAC Name:
5,7-difluoro-1,3-benzothiazole
InChI:
InChI=1S/C7H3F2NS/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H
InChI Key:
SJCQCBHFYJXBKB-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c2c(c1)ncs2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.165g/mol
Monoisotopic Mass:
170.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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