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Home > Nitro Compounds > 14026-45-0
14026-45-0 | Quinoline, 1,2,3,4-tetrahydro-6-nitro-
CAS No: 14026-45-0 Catalog No: AG001C8E MDL No:MFCD00541472
Product Description
Catalog Number:
AG001C8E
Chemical Name:
Quinoline, 1,2,3,4-tetrahydro-6-nitro-
CAS Number:
14026-45-0
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD00541472
IUPAC Name:
6-nitro-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2
InChI Key:
ASVYHMUYLBMSKW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CCCN2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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