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Home > Nitro Compounds > 17750-45-7
17750-45-7 | Isoquinoline, 1-[(2-nitrophenyl)methyl]-
CAS No: 17750-45-7 Catalog No: AG0025DL MDL No:
Product Description
Catalog Number:
AG0025DL
Chemical Name:
Isoquinoline, 1-[(2-nitrophenyl)methyl]-
CAS Number:
17750-45-7
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
1-[(2-nitrophenyl)methyl]isoquinoline
InChI:
InChI=1S/C16H12N2O2/c19-18(20)16-8-4-2-6-13(16)11-15-14-7-3-1-5-12(14)9-10-17-15/h1-10H,11H2
InChI Key:
WQDCBLGNFQKWGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Cc1nccc2c1cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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