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43101-10-6 | Isoquinoline, 5-azido- (9CI)
CAS No: 43101-10-6 Catalog No: AG00DHE6 MDL No:MFCD12067126
Product Description
Catalog Number:
AG00DHE6
Chemical Name:
Isoquinoline, 5-azido- (9CI)
CAS Number:
43101-10-6
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD12067126
IUPAC Name:
5-azidoisoquinoline
InChI:
InChI=1S/C9H6N4/c10-13-12-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChI Key:
QGSWHVLSSSEOSN-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cccc2c1ccnc2
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
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