200,000+ products from a single source!
sales@angenechem.com
819053-75-3 | Carbamic acid, [3-(4-iodophenyl)-2-propynyl]-, 1,1-dimethylethyl ester
CAS No: 819053-75-3 Catalog No: AG004ZXQ MDL No:
Product Description
Catalog Number:
AG004ZXQ
Chemical Name:
Carbamic acid, [3-(4-iodophenyl)-2-propynyl]-, 1,1-dimethylethyl ester
CAS Number:
819053-75-3
Molecular Formula:
C14H16INO2
Molecular Weight:
357.1868
IUPAC Name:
tert-butyl N-[3-(4-iodophenyl)prop-2-ynyl]carbamate
InChI:
InChI=1S/C14H16INO2/c1-14(2,3)18-13(17)16-10-4-5-11-6-8-12(15)9-7-11/h6-9H,10H2,1-3H3,(H,16,17)
InChI Key:
KNNSQPSSLCONRA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC#Cc1ccc(cc1)I
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.191g/mol
Monoisotopic Mass:
357.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.