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17816-11-4 | Benzenamine, 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethyl-
CAS No: 17816-11-4 Catalog No: AG0025SO MDL No:
Product Description
Catalog Number:
AG0025SO
Chemical Name:
Benzenamine, 4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethyl-
CAS Number:
17816-11-4
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
IUPAC Name:
4-[(E)-2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethylaniline
InChI:
InChI=1S/C17H16N2S/c1-19(2)17-11-7-15(8-12-17)4-3-14-5-9-16(10-6-14)18-13-20/h3-12H,1-2H3/b4-3+
InChI Key:
AELFAHXWAPNOLB-ONEGZZNKSA-N
SMILES:
S=C=Nc1ccc(cc1)C=Cc1ccc(cc1)N(C)C
NSC Number:
218427
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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