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Home > Nitro Compounds > 4584-57-0
4584-57-0 | N,N-Dimethyl-4-(4-nitrostyryl);aniline
CAS No: 4584-57-0 Catalog No: AG003LAK MDL No:MFCD00041877
Product Description
Catalog Number:
AG003LAK
Chemical Name:
N,N-Dimethyl-4-(4-nitrostyryl);aniline
CAS Number:
4584-57-0
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
MDL Number:
MFCD00041877
IUPAC Name:
N,N-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
InChI:
InChI=1S/C16H16N2O2/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(19)20/h3-12H,1-2H3/b4-3+
InChI Key:
NVLSIZITFJRWPY-ONEGZZNKSA-N
SMILES:
CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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