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581812-66-0 | Isoquinoline, 5-isocyanato- (9CI)
CAS No: 581812-66-0 Catalog No: AG00EZDH MDL No:
Product Description
Catalog Number:
AG00EZDH
Chemical Name:
Isoquinoline, 5-isocyanato- (9CI)
CAS Number:
581812-66-0
IUPAC Name:
5-isocyanatoisoquinoline
InChI:
InChI=1S/C10H6N2O/c13-7-12-10-3-1-2-8-6-11-5-4-9(8)10/h1-6H
InChI Key:
JTBAQPOKEMZAEQ-UHFFFAOYSA-N
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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