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800-59-9 | N,N-DIMETHYL-4-[2-(8-NITROQUINOLIN-4-YL)ETHENYL]ANILINE
CAS No: 800-59-9 Catalog No: AG005PD3 MDL No:
Product Description
Catalog Number:
AG005PD3
Chemical Name:
N,N-DIMETHYL-4-[2-(8-NITROQUINOLIN-4-YL)ETHENYL]ANILINE
CAS Number:
800-59-9
Molecular Formula:
C19H17N3O2
Molecular Weight:
319.3572
IUPAC Name:
N,N-dimethyl-4-[2-(8-nitroquinolin-4-yl)ethenyl]aniline
InChI:
InChI=1S/C19H17N3O2/c1-21(2)16-10-7-14(8-11-16)6-9-15-12-13-20-19-17(15)4-3-5-18(19)22(23)24/h3-13H,1-2H3
InChI Key:
RMJYQZOCZQRSIH-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C=Cc1ccnc2c1cccc2[N+](=O)[O-])C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.364g/mol
Monoisotopic Mass:
319.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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