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116548-38-0 | Methanol, 1-[3-(6-chloro-3-pyridinyl)-1-methyl-2-triazen-1-yl]-
CAS No: 116548-38-0 Catalog No: AG000CRD MDL No:
Product Description
Catalog Number:
AG000CRD
Chemical Name:
Methanol, 1-[3-(6-chloro-3-pyridinyl)-1-methyl-2-triazen-1-yl]-
CAS Number:
116548-38-0
Molecular Formula:
C7H9ClN4O
Molecular Weight:
200.6256
IUPAC Name:
[[(6-chloropyridin-3-yl)diazenyl]-methylamino]methanol
InChI:
InChI=1S/C7H9ClN4O/c1-12(5-13)11-10-6-2-3-7(8)9-4-6/h2-4,13H,5H2,1H3
InChI Key:
FIYLLFGPEJKSIZ-UHFFFAOYSA-N
SMILES:
OCN(N=Nc1ccc(nc1)Cl)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.626g/mol
Monoisotopic Mass:
200.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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