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69976-28-9 | 8-Nitroquinoline-4-carbaldehyde
CAS No: 69976-28-9 Catalog No: AG005S7A MDL No:MFCD06824406
Product Description
Catalog Number:
AG005S7A
Chemical Name:
8-Nitroquinoline-4-carbaldehyde
CAS Number:
69976-28-9
Molecular Formula:
C10H6N2O3
Molecular Weight:
202.1662
MDL Number:
MFCD06824406
IUPAC Name:
8-nitroquinoline-4-carbaldehyde
InChI:
InChI=1S/C10H6N2O3/c13-6-7-4-5-11-10-8(7)2-1-3-9(10)12(14)15/h1-6H
InChI Key:
XJYXBOSMRSJTEE-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.169g/mol
Monoisotopic Mass:
202.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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