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138845-31-5 | Methanol, 1-[methyl[4-[2-(4-nitrophenyl)ethenyl]phenyl]amino]-
CAS No: 138845-31-5 Catalog No: AG0019OC MDL No:
Product Description
Catalog Number:
AG0019OC
Chemical Name:
Methanol, 1-[methyl[4-[2-(4-nitrophenyl)ethenyl]phenyl]amino]-
CAS Number:
138845-31-5
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
[N-methyl-4-[2-(4-nitrophenyl)ethenyl]anilino]methanol
InChI:
InChI=1S/C16H16N2O3/c1-17(12-19)15-8-4-13(5-9-15)2-3-14-6-10-16(11-7-14)18(20)21/h2-11,19H,12H2,1H3
InChI Key:
DNCAHFHDKPPGNU-UHFFFAOYSA-N
SMILES:
OCN(c1ccc(cc1)C=Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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