200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 197441-30-8
197441-30-8 | Benzene, 1,1'-methylenebis[3-ethyl-4-isocyanato-5-methyl-
CAS No: 197441-30-8 Catalog No: AG002ASW MDL No:
Product Description
Catalog Number:
AG002ASW
Chemical Name:
Benzene, 1,1'-methylenebis[3-ethyl-4-isocyanato-5-methyl-
CAS Number:
197441-30-8
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
IUPAC Name:
1-ethyl-5-[(3-ethyl-4-isocyanato-5-methylphenyl)methyl]-2-isocyanato-3-methylbenzene
InChI:
InChI=1S/C21H22N2O2/c1-5-18-10-16(7-14(3)20(18)22-12-24)9-17-8-15(4)21(23-13-25)19(6-2)11-17/h7-8,10-11H,5-6,9H2,1-4H3
InChI Key:
BQAVEAXODNAXKU-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)cc(cc1CC)Cc1cc(C)c(c(c1)CC)N=C=O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.