200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114096-85-4
114096-85-4 | Benzene, 1-isocyanato-4-(2-isocyanatoethyl)-
CAS No: 114096-85-4 Catalog No: AG000AK7 MDL No:
Product Description
Catalog Number:
AG000AK7
Chemical Name:
Benzene, 1-isocyanato-4-(2-isocyanatoethyl)-
CAS Number:
114096-85-4
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
1-isocyanato-4-(2-isocyanatoethyl)benzene
InChI:
InChI=1S/C10H8N2O2/c13-7-11-6-5-9-1-3-10(4-2-9)12-8-14/h1-4H,5-6H2
InChI Key:
NRQALCHWWZJDFI-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccc(cc1)N=C=O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.