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89047-46-1 | Quinoline, 2-isocyanato-
CAS No: 89047-46-1 Catalog No: AG0087V7 MDL No:MFCD18803356
Product Description
Catalog Number:
AG0087V7
Chemical Name:
Quinoline, 2-isocyanato-
CAS Number:
89047-46-1
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD18803356
IUPAC Name:
2-isocyanatoquinoline
InChI:
InChI=1S/C10H6N2O/c13-7-11-10-6-5-8-3-1-2-4-9(8)12-10/h1-6H
InChI Key:
UUKTUCMSYRKYOJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc2c(n1)cccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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