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125117-96-6 | Pyridine, 2-chloro-5-isocyanato-
CAS No: 125117-96-6 Catalog No: AG000N7X MDL No:MFCD07368563
Product Description
Catalog Number:
AG000N7X
Chemical Name:
Pyridine, 2-chloro-5-isocyanato-
CAS Number:
125117-96-6
Molecular Formula:
C6H3ClN2O
Molecular Weight:
154.5538
MDL Number:
MFCD07368563
IUPAC Name:
2-chloro-5-isocyanatopyridine
InChI:
InChI=1S/C6H3ClN2O/c7-6-2-1-5(3-8-6)9-4-10/h1-3H
InChI Key:
WHENXACISRCOHK-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(nc1)Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.993g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.553g/mol
Monoisotopic Mass:
153.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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