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127265-49-0 | 9H-Purine-9-carbonyl chloride, 1,2,3,6-tetrahydro-2,6-dioxo-
CAS No: 127265-49-0 Catalog No: AG000WTR MDL No:MFCD13184832
Product Description
Catalog Number:
AG000WTR
Chemical Name:
9H-Purine-9-carbonyl chloride, 1,2,3,6-tetrahydro-2,6-dioxo-
CAS Number:
127265-49-0
Molecular Formula:
C6H3ClN4O3
Molecular Weight:
214.5660
MDL Number:
MFCD13184832
IUPAC Name:
2,6-dioxo-3H-purine-9-carbonyl chloride
InChI:
InChI=1S/C6H3ClN4O3/c7-5(13)11-1-8-2-3(11)9-6(14)10-4(2)12/h1H,(H2,9,10,12,14)
InChI Key:
MXIPOPWDCHIWBZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)n(cn2)C(=O)Cl
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.565g/mol
Monoisotopic Mass:
213.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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