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1382847-98-4 | 4-Isoquinolinecarbonitrile, 3-amino-7-bromo-
CAS No: 1382847-98-4 Catalog No: AG0018G3 MDL No:
Product Description
Catalog Number:
AG0018G3
Chemical Name:
4-Isoquinolinecarbonitrile, 3-amino-7-bromo-
CAS Number:
1382847-98-4
Molecular Formula:
C10H6BrN3
Molecular Weight:
248.0787
IUPAC Name:
3-amino-7-bromoisoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H6BrN3/c11-7-1-2-8-6(3-7)5-14-10(13)9(8)4-12/h1-3,5H,(H2,13,14)
InChI Key:
QKUAUULRZLRULB-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)ncc2c1ccc(c2)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.975g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.083g/mol
Monoisotopic Mass:
246.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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