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761454-63-1 | 5-Thiazolecarboxamide,2-chloro-
CAS No: 761454-63-1 Catalog No: AG005FFI MDL No:
Product Description
Catalog Number:
AG005FFI
Chemical Name:
5-Thiazolecarboxamide,2-chloro-
CAS Number:
761454-63-1
Molecular Formula:
C4H3ClN2OS
Molecular Weight:
162.5974
IUPAC Name:
2-chloro-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C4H3ClN2OS/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)
InChI Key:
QXXORRGGVNFVCV-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnc(s1)Cl
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.591g/mol
Monoisotopic Mass:
161.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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