200,000+ products from a single source!
sales@angenechem.com
88715-10-0 | Carbamic acid, (3-bromo-4-ethoxyphenyl)-, 2-propynyl ester
CAS No: 88715-10-0 Catalog No: AG0045DC MDL No:
Product Description
Catalog Number:
AG0045DC
Chemical Name:
Carbamic acid, (3-bromo-4-ethoxyphenyl)-, 2-propynyl ester
CAS Number:
88715-10-0
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
IUPAC Name:
prop-2-ynyl N-(3-bromo-4-ethoxyphenyl)carbamate
InChI:
InChI=1S/C12H12BrNO3/c1-3-7-17-12(15)14-9-5-6-11(16-4-2)10(13)8-9/h1,5-6,8H,4,7H2,2H3,(H,14,15)
InChI Key:
YJNBQRITUSAHHN-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)NC(=O)OCC#C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.136g/mol
Monoisotopic Mass:
297g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
© 2019 Angene International Limited. All rights Reserved.