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131813-70-2 | 1,3,5-Triazine, 2-(4-butoxy-1-naphthalenyl)-4,6-bis(trichloromethyl)-
CAS No: 131813-70-2 Catalog No: AG000ZR9 MDL No:
Product Description
Catalog Number:
AG000ZR9
Chemical Name:
1,3,5-Triazine, 2-(4-butoxy-1-naphthalenyl)-4,6-bis(trichloromethyl)-
CAS Number:
131813-70-2
Molecular Formula:
C19H15Cl6N3O
Molecular Weight:
514.0599
IUPAC Name:
2-(4-butoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
InChI:
InChI=1S/C19H15Cl6N3O/c1-2-3-10-29-14-9-8-13(11-6-4-5-7-12(11)14)15-26-16(18(20,21)22)28-17(27-15)19(23,24)25/h4-9H,2-3,10H2,1H3
InChI Key:
ORXBVLDMEZLJSC-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c2c1cccc2)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.932g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.049g/mol
Monoisotopic Mass:
510.935g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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