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88541-06-4 | 1,3,4-Thiadiazole, 2-chloro-5-(3-nitrophenyl)-
CAS No: 88541-06-4 Catalog No: AG004CR7 MDL No:MFCD00808563
Product Description
Catalog Number:
AG004CR7
Chemical Name:
1,3,4-Thiadiazole, 2-chloro-5-(3-nitrophenyl)-
CAS Number:
88541-06-4
Molecular Formula:
C8H4ClN3O2S
Molecular Weight:
241.6543
MDL Number:
MFCD00808563
IUPAC Name:
2-chloro-5-(3-nitrophenyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C8H4ClN3O2S/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H
InChI Key:
SBLPQMINRAUSHC-UHFFFAOYSA-N
SMILES:
Clc1nnc(s1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.649g/mol
Monoisotopic Mass:
240.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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