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Home > Nitro Compounds > 140381-70-0
140381-70-0 | Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-
CAS No: 140381-70-0 Catalog No: AG001CBI MDL No:
Product Description
Catalog Number:
AG001CBI
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-
CAS Number:
140381-70-0
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C14H13N3O2/c18-17(19)13-6-3-8-15-14(13)16-9-7-11-4-1-2-5-12(11)10-16/h1-6,8H,7,9-10H2
InChI Key:
OBNFILXMXHDTDL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1N1CCc2c(C1)cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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