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160455-77-6 | Quinoline, 6-isocyanato-
CAS No: 160455-77-6 Catalog No: AG001RX5 MDL No:MFCD05664401
Product Description
Catalog Number:
AG001RX5
Chemical Name:
Quinoline, 6-isocyanato-
CAS Number:
160455-77-6
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD05664401
IUPAC Name:
6-isocyanatoquinoline
InChI:
InChI=1S/C10H6N2O/c13-7-12-9-3-4-10-8(6-9)2-1-5-11-10/h1-6H
InChI Key:
CERCVSIFSCEXGB-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc2c(c1)cccn2
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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