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113940-12-8 | 1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-
CAS No: 113940-12-8 Catalog No: AG000A4T MDL No:
Product Description
Catalog Number:
AG000A4T
Chemical Name:
1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-
CAS Number:
113940-12-8
Molecular Formula:
C4H4ClN3OS
Molecular Weight:
177.6121
IUPAC Name:
5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide
InChI:
InChI=1S/C4H4ClN3OS/c5-1-2-7-8-4(10-2)3(6)9/h1H2,(H2,6,9)
InChI Key:
ZKQAZSHUIWWDBD-UHFFFAOYSA-N
SMILES:
ClCc1nnc(s1)C(=O)N
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.606g/mol
Monoisotopic Mass:
176.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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