200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 101211-96-5
101211-96-5 | Carbamic acid, N-(3-isocyanatomethylphenyl)-, octyl ester
CAS No: 101211-96-5 Catalog No: AG0003Z6 MDL No:
Product Description
Catalog Number:
AG0003Z6
Chemical Name:
Carbamic acid, N-(3-isocyanatomethylphenyl)-, octyl ester
CAS Number:
101211-96-5
Molecular Formula:
C17H24N2O3
Molecular Weight:
304.3841
IUPAC Name:
octyl N-[3-(isocyanatomethyl)phenyl]carbamate
InChI:
InChI=1S/C17H24N2O3/c1-2-3-4-5-6-7-11-22-17(21)19-16-10-8-9-15(12-16)13-18-14-20/h8-10,12H,2-7,11,13H2,1H3,(H,19,21)
InChI Key:
SDULBJLIYGKDAR-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)Nc1cccc(c1)CN=C=O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.39g/mol
Monoisotopic Mass:
304.179g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.