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Home > Nitro Compounds > 1909337-62-7
1909337-62-7 | 8-nitro-1,2,3,4-tetrahydroquinoline-5-carbonitrile
CAS No: 1909337-62-7 Catalog No: AG01ALIL MDL No:MFCD29047175
Product Description
Catalog Number:
AG01ALIL
Chemical Name:
8-nitro-1,2,3,4-tetrahydroquinoline-5-carbonitrile
CAS Number:
1909337-62-7
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD29047175
IUPAC Name:
8-nitro-1,2,3,4-tetrahydroquinoline-5-carbonitrile
InChI:
InChI=1S/C10H9N3O2/c11-6-7-3-4-9(13(14)15)10-8(7)2-1-5-12-10/h3-4,12H,1-2,5H2
InChI Key:
OBGHIWWOSNHEBM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1CCCN2)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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