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137927-75-4 | Acetic acid, 2-[[6-(4-chlorophenoxy)-4-pyrimidinyl]thio]-, hydrazide
CAS No: 137927-75-4 Catalog No: AG00143X MDL No:
Product Description
Catalog Number:
AG00143X
Chemical Name:
Acetic acid, 2-[[6-(4-chlorophenoxy)-4-pyrimidinyl]thio]-, hydrazide
CAS Number:
137927-75-4
Molecular Formula:
C12H11ClN4O2S
Molecular Weight:
310.7593
IUPAC Name:
2-[6-(4-chlorophenoxy)pyrimidin-4-yl]sulfanylacetohydrazide
InChI:
InChI=1S/C12H11ClN4O2S/c13-8-1-3-9(4-2-8)19-11-5-12(16-7-15-11)20-6-10(18)17-14/h1-5,7H,6,14H2,(H,17,18)
InChI Key:
WRMHKXIWDZVDJX-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1ncnc(c1)Oc1ccc(cc1)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.756g/mol
Monoisotopic Mass:
310.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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