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1157063-57-4 | 3-iodo-N-(1,2,3-thiadiazol-4-ylmethyl)aniline
CAS No: 1157063-57-4 Catalog No: AG01AZ7A MDL No:MFCD12113208
Product Description
Catalog Number:
AG01AZ7A
Chemical Name:
3-iodo-N-(1,2,3-thiadiazol-4-ylmethyl)aniline
CAS Number:
1157063-57-4
Molecular Formula:
C9H8IN3S
Molecular Weight:
317.1494
MDL Number:
MFCD12113208
IUPAC Name:
3-iodo-N-(thiadiazol-4-ylmethyl)aniline
InChI:
InChI=1S/C9H8IN3S/c10-7-2-1-3-8(4-7)11-5-9-6-14-13-12-9/h1-4,6,11H,5H2
InChI Key:
VRIWOCQJANHLMH-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1csnn1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.148g/mol
Monoisotopic Mass:
316.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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