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Home > Pyridines > 179911-73-0
179911-73-0 | 2-Pyridinecarbonyl isocyanate (9CI)
CAS No: 179911-73-0 Catalog No: AG0027DD MDL No:
Product Description
Catalog Number:
AG0027DD
Chemical Name:
2-Pyridinecarbonyl isocyanate (9CI)
CAS Number:
179911-73-0
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
IUPAC Name:
pyridine-2-carbonyl isocyanate
InChI:
InChI=1S/C7H4N2O2/c10-5-9-7(11)6-3-1-2-4-8-6/h1-4H
InChI Key:
DHCSEDVCGYEIDB-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)c1ccccn1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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