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15268-31-2 | 3-isocyanatopyridine
CAS No: 15268-31-2 Catalog No: AG0033QJ MDL No:MFCD01075747
Product Description
Catalog Number:
AG0033QJ
Chemical Name:
3-isocyanatopyridine
CAS Number:
15268-31-2
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD01075747
IUPAC Name:
3-isocyanatopyridine
InChI:
InChI=1S/C6H4N2O/c9-5-8-6-2-1-3-7-4-6/h1-4H
InChI Key:
SHVVSKCXWMEDRW-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccnc1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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