200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87498-87-1
87498-87-1 | Benzene, 1,3,5-tris(1-isocyanato-1-methylethyl)-
CAS No: 87498-87-1 Catalog No: AG004DRI MDL No:
Product Description
Catalog Number:
AG004DRI
Chemical Name:
Benzene, 1,3,5-tris(1-isocyanato-1-methylethyl)-
CAS Number:
87498-87-1
Molecular Formula:
C18H21N3O3
Molecular Weight:
327.3776
IUPAC Name:
1,3,5-tris(2-isocyanatopropan-2-yl)benzene
InChI:
InChI=1S/C18H21N3O3/c1-16(2,19-10-22)13-7-14(17(3,4)20-11-23)9-15(8-13)18(5,6)21-12-24/h7-9H,1-6H3
InChI Key:
JYEFXLLEDLBLOB-UHFFFAOYSA-N
SMILES:
O=C=NC(c1cc(cc(c1)C(N=C=O)(C)C)C(N=C=O)(C)C)(C)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.384g/mol
Monoisotopic Mass:
327.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.