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18851-33-7 | 1,10-Phenanthroline, hydrochloride, hydrate (1:1:1)
CAS No: 18851-33-7 Catalog No: AG002GYM MDL No:MFCD00150061
Product Description
Catalog Number:
AG002GYM
Chemical Name:
1,10-Phenanthroline, hydrochloride, hydrate (1:1:1)
CAS Number:
18851-33-7
Molecular Formula:
C12H11ClN2O
Molecular Weight:
234.6815
MDL Number:
MFCD00150061
IUPAC Name:
1,10-phenanthroline;hydrate;hydrochloride
InChI:
InChI=1S/C12H8N2.ClH.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8H;1H;1H2
InChI Key:
NDLHUHRGAIHALB-UHFFFAOYSA-N
SMILES:
c1ccc2c(n1)c1ncccc1cc2.O.Cl
EC Number:
223-325-1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.683g/mol
Monoisotopic Mass:
234.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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