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58142-99-7 | Isoquinoline, 5-iodo- (9CI)
CAS No: 58142-99-7 Catalog No: AG00EKK2 MDL No:MFCD11226893
Product Description
Catalog Number:
AG00EKK2
Chemical Name:
Isoquinoline, 5-iodo- (9CI)
CAS Number:
58142-99-7
Molecular Formula:
C9H6IN
Molecular Weight:
255.0551
MDL Number:
MFCD11226893
IUPAC Name:
5-iodoisoquinoline
InChI:
InChI=1S/C9H6IN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChI Key:
CUILFTFMBBGSFT-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1ccnc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.058g/mol
Monoisotopic Mass:
254.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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