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88347-83-5 | Propanoic acid, 2-azido-3-(2-pyrimidinylthio)-, methyl ester
CAS No: 88347-83-5 Catalog No: AG0045ZH MDL No:
Product Description
Catalog Number:
AG0045ZH
Chemical Name:
Propanoic acid, 2-azido-3-(2-pyrimidinylthio)-, methyl ester
CAS Number:
88347-83-5
Molecular Formula:
C8H9N5O2S
Molecular Weight:
239.2544
IUPAC Name:
methyl 2-azido-3-pyrimidin-2-ylsulfanylpropanoate
InChI:
InChI=1S/C8H9N5O2S/c1-15-7(14)6(12-13-9)5-16-8-10-3-2-4-11-8/h2-4,6H,5H2,1H3
InChI Key:
KGQZJIUAANZESJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(N=[N+]=[N-])CSc1ncccn1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.253g/mol
Monoisotopic Mass:
239.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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