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75275-87-5 | Isoquinoline, 1-azido-
CAS No: 75275-87-5 Catalog No: AG005MP2 MDL No:
Product Description
Catalog Number:
AG005MP2
Chemical Name:
Isoquinoline, 1-azido-
CAS Number:
75275-87-5
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
1-azidoisoquinoline
InChI:
InChI=1S/C9H6N4/c10-13-12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChI Key:
UMQBZRJDVDFAAQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1nccc2c1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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